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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Triazoles (17)
Thiadiazoles (14)
Imidazoles (4)
Oxadiazoles (4)
Pyrazoles (4)
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1 – 15 of 23 results
1

1,2,4-Triazolo[4,3-a]pyridine-3-thiol, 96%

CAS: 6952-68-7 Molecular Formula: C6H5N3S Molecular Weight (g/mol): 151.19 MDL Number: MFCD03783345 InChI Key: ZQMDNIPQCWNIMG-UHFFFAOYSA-N Synonym: 1,2,4 triazolo 4,3-a pyridine-3-thiol,1,2,4-triazolo 4,3-a pyridine-3 2h-thione,s-triazolo 4,3-a pyridine-3 2h-thione,unii-t0rly3osj5,t0rly3osj5,2h-1,2,4 triazolo 4,3-a pyridine-3-thione,1,2,4 triazolo 4,3-a pyridine-3 2h-thione,3-mercaptotriazolo 4,3-a pyridine,1,2,4-triazolo 4,3-a pyridine-3-thiol PubChem CID: 676422 IUPAC Name: 2H,3H-[1,2,4]triazolo[4,3-a]pyridine-3-thione SMILES: S=C1NN=C2C=CC=CN12

PubChem CID 676422
CAS 6952-68-7
Molecular Weight (g/mol) 151.19
MDL Number MFCD03783345
SMILES S=C1NN=C2C=CC=CN12
Synonym 1,2,4 triazolo 4,3-a pyridine-3-thiol,1,2,4-triazolo 4,3-a pyridine-3 2h-thione,s-triazolo 4,3-a pyridine-3 2h-thione,unii-t0rly3osj5,t0rly3osj5,2h-1,2,4 triazolo 4,3-a pyridine-3-thione,1,2,4 triazolo 4,3-a pyridine-3 2h-thione,3-mercaptotriazolo 4,3-a pyridine,1,2,4-triazolo 4,3-a pyridine-3-thiol
IUPAC Name 2H,3H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
InChI Key ZQMDNIPQCWNIMG-UHFFFAOYSA-N
Molecular Formula C6H5N3S
2

2-Ethylthio-1,3,4-thiadiazole-5-thiol, 97%, Thermo Scientific Chemicals

CAS: 37147-15-2 Molecular Formula: C4H6N2S3 Molecular Weight (g/mol): 178.29 MDL Number: MFCD00186131 InChI Key: JLJYQXMUUKOBBO-UHFFFAOYSA-N Synonym: 2-ethylthio-1,3,4-thiadiazole-5-thiol,5-ethylthio-1,3,4-thiadiazole-2-thiol,5-ethylsulfanyl-1,3,4-thiadiazole-2-thiol,2-ethylthio-1,3,4-thiazole-5-thiol,5-ethylthio-1,3,4-thiadiazole-2 3h-thione,5-ethylsulfanyl-1,3,4-thiadiazole-2 3h-thione,acmc-1cszq,5-ethylthio-3h-1,3,4-thiadiazole-2-thione PubChem CID: 1201366 IUPAC Name: 5-ethylsulfanyl-3H-1,3,4-thiadiazole-2-thione SMILES: CCSC1=NNC(=S)S1

PubChem CID 1201366
CAS 37147-15-2
Molecular Weight (g/mol) 178.29
MDL Number MFCD00186131
SMILES CCSC1=NNC(=S)S1
Synonym 2-ethylthio-1,3,4-thiadiazole-5-thiol,5-ethylthio-1,3,4-thiadiazole-2-thiol,5-ethylsulfanyl-1,3,4-thiadiazole-2-thiol,2-ethylthio-1,3,4-thiazole-5-thiol,5-ethylthio-1,3,4-thiadiazole-2 3h-thione,5-ethylsulfanyl-1,3,4-thiadiazole-2 3h-thione,acmc-1cszq,5-ethylthio-3h-1,3,4-thiadiazole-2-thione
IUPAC Name 5-ethylsulfanyl-3H-1,3,4-thiadiazole-2-thione
InChI Key JLJYQXMUUKOBBO-UHFFFAOYSA-N
Molecular Formula C4H6N2S3
3

5-Amino-4H-1,2,4-triazole-3-thiol, tech., Thermo Scientific™

CAS: 16691-43-3 Molecular Formula: C2H4N4S Molecular Weight (g/mol): 116.14 MDL Number: MFCD00005231 InChI Key: WZUUZPAYWFIBDF-UHFFFAOYSA-N Synonym: 3-amino-5-mercapto-1,2,4-triazole,iminothiourazole,3-imino-5-thiourazole,3-amino-1h-1,2,4-triazole-5-thiol,5-amino-4h-1,2,4-triazole-3-thiol,3-amino-1,2,4-triazole-5-thiol,s-triazole-3-thiol, 5-amino,3h-1,2,4-triazole-3-thione, 5-amino-1,2-dihydro,5-amino-1,2-dihydro-3h-1,2,4-triazole-3-thione,unii-353f2d8l1z PubChem CID: 2723869 IUPAC Name: 5-amino-1,2-dihydro-1,2,4-triazole-3-thione SMILES: NC1=NC(=S)NN1

PubChem CID 2723869
CAS 16691-43-3
Molecular Weight (g/mol) 116.14
MDL Number MFCD00005231
SMILES NC1=NC(=S)NN1
Synonym 3-amino-5-mercapto-1,2,4-triazole,iminothiourazole,3-imino-5-thiourazole,3-amino-1h-1,2,4-triazole-5-thiol,5-amino-4h-1,2,4-triazole-3-thiol,3-amino-1,2,4-triazole-5-thiol,s-triazole-3-thiol, 5-amino,3h-1,2,4-triazole-3-thione, 5-amino-1,2-dihydro,5-amino-1,2-dihydro-3h-1,2,4-triazole-3-thione,unii-353f2d8l1z
IUPAC Name 5-amino-1,2-dihydro-1,2,4-triazole-3-thione
InChI Key WZUUZPAYWFIBDF-UHFFFAOYSA-N
Molecular Formula C2H4N4S
4

5-(4-Chlorophenyl)-1-methyl-1H-imidazole-2-thiol, 97%, Thermo Scientific™

CAS: 17452-31-2 Molecular Formula: C10H9ClN2S Molecular Weight (g/mol): 224.71 MDL Number: MFCD01313844 InChI Key: RGYNOPLNIDBIGT-UHFFFAOYSA-N Synonym: 5-4-chlorophenyl-1-methyl-1h-imidazole-2-thiol,5-4-chlorophenyl-1-methylimidazole-2-thiol,maybridge1_000141,4-4-chlorophenyl-3-methyl-1h-imidazole-2-thione,5-4-chlorophenyl-1-methyl-3h-imidazole-2-thione,2h-imidazole-2-thione,5-4-chlorophenyl-1,3-dihydro-1-methyl PubChem CID: 2747520 IUPAC Name: 4-(4-chlorophenyl)-3-methyl-1H-imidazole-2-thione SMILES: CN1C(=S)NC=C1C1=CC=C(Cl)C=C1

PubChem CID 2747520
CAS 17452-31-2
Molecular Weight (g/mol) 224.71
MDL Number MFCD01313844
SMILES CN1C(=S)NC=C1C1=CC=C(Cl)C=C1
Synonym 5-4-chlorophenyl-1-methyl-1h-imidazole-2-thiol,5-4-chlorophenyl-1-methylimidazole-2-thiol,maybridge1_000141,4-4-chlorophenyl-3-methyl-1h-imidazole-2-thione,5-4-chlorophenyl-1-methyl-3h-imidazole-2-thione,2h-imidazole-2-thione,5-4-chlorophenyl-1,3-dihydro-1-methyl
IUPAC Name 4-(4-chlorophenyl)-3-methyl-1H-imidazole-2-thione
InChI Key RGYNOPLNIDBIGT-UHFFFAOYSA-N
Molecular Formula C10H9ClN2S
8

5-Amino-1,3,4-thiadiazole-2-thiol, TRC

CAS: 2349-67-9 Molecular Formula: C2H3N3S2 Molecular Weight (g/mol): 133.19 Synonym: 1,3,4-Thiadiazole-2-thiol, 5-amino- (6CI,8CI),δ2-1,3,4-Thiadiazoline-2-thiol, 5-imino- (7CI),5-Amino-1,3,4-thiadiazole-2(3H)-thione,2-Amino-1,3,4-thiadiazol-5-thiol,2-Amino-1,3,4-thiadiazole-5-mercaptan,2-Amino-1,3,4-thiadiazole-5-thiol,2-Amino-5-mercapto-1,3,4-thiadiazole,2-Amino-5-mercaptothiadiazole,2-Amino-5-sulfanyl-1,3,4-thiadiazole,2-Amino-5-sulfhydryl-1,3,4-thiadiazole,2-Amino-δ2-1,3,4-thiadiazoline-5-thione,2-Mercapto-5-amino-1,3,4-thiadiazole,2-Mercapto-5-aminothiadiazole,2-Thiol-5-amino-1,3,4-thiadiazole,5-Amino-1,3,4-thiadiazole-2-thiol,5-Amino-1,3,4-thiadiazole-2-thione,5-Amino-1,3,4-thiadiazole-5-thiol,5-Amino-1,3,4-thiadiazoline-2-thione,5-Amino-1,3,4-thidiazole-2-thiol,5-Amino-2-mercapto-1,3,4-thiadiazole,5-Amino-2-sulfhydryl-1,3,4-thiadiazole,5-Amino-3H-1,3,4-thiadiazole-2-thione,5-Thio-2-amino-[1,3,4]thiadiazole,5-Thiol-2-amino-1,3,4-thiadiazole,ATT,NSC 209061,NSC 21402,WR 180 IUPAC Name: 5-amino-1,3,4-thiadiazole-2-thiol SMILES: Nc1nnc(S)s1

CAS 2349-67-9
Molecular Weight (g/mol) 133.19
SMILES Nc1nnc(S)s1
Synonym 1,3,4-Thiadiazole-2-thiol, 5-amino- (6CI,8CI),δ2-1,3,4-Thiadiazoline-2-thiol, 5-imino- (7CI),5-Amino-1,3,4-thiadiazole-2(3H)-thione,2-Amino-1,3,4-thiadiazol-5-thiol,2-Amino-1,3,4-thiadiazole-5-mercaptan,2-Amino-1,3,4-thiadiazole-5-thiol,2-Amino-5-mercapto-1,3,4-thiadiazole,2-Amino-5-mercaptothiadiazole,2-Amino-5-sulfanyl-1,3,4-thiadiazole,2-Amino-5-sulfhydryl-1,3,4-thiadiazole,2-Amino-δ2-1,3,4-thiadiazoline-5-thione,2-Mercapto-5-amino-1,3,4-thiadiazole,2-Mercapto-5-aminothiadiazole,2-Thiol-5-amino-1,3,4-thiadiazole,5-Amino-1,3,4-thiadiazole-2-thiol,5-Amino-1,3,4-thiadiazole-2-thione,5-Amino-1,3,4-thiadiazole-5-thiol,5-Amino-1,3,4-thiadiazoline-2-thione,5-Amino-1,3,4-thidiazole-2-thiol,5-Amino-2-mercapto-1,3,4-thiadiazole,5-Amino-2-sulfhydryl-1,3,4-thiadiazole,5-Amino-3H-1,3,4-thiadiazole-2-thione,5-Thio-2-amino-[1,3,4]thiadiazole,5-Thiol-2-amino-1,3,4-thiadiazole,ATT,NSC 209061,NSC 21402,WR 180
IUPAC Name 5-amino-1,3,4-thiadiazole-2-thiol
Molecular Formula C2H3N3S2
9

5-Methyl-1,3,4-thiadiazol-2-thiol, TRC

CAS: 29490-19-5 Molecular Formula: C3 H4 N2 S2 Molecular Weight (g/mol): 132.21 Synonym: 5-Methyl-1,3,4-thiadiazol-2-thiol,Cefazolin Sodium Imp. E (EP),MMTD IUPAC Name: 5-methyl-1,3,4-thiadiazole-2-thiol SMILES: Cc1nnc(S)s1

CAS 29490-19-5
Molecular Weight (g/mol) 132.21
SMILES Cc1nnc(S)s1
Synonym 5-Methyl-1,3,4-thiadiazol-2-thiol,Cefazolin Sodium Imp. E (EP),MMTD
IUPAC Name 5-methyl-1,3,4-thiadiazole-2-thiol
Molecular Formula C3 H4 N2 S2
10

3-Mercapto-1,2,4-triazole, 98%

CAS: 3179-31-5 Molecular Formula: C2H3N3S Molecular Weight (g/mol): 101.13 MDL Number: MFCD00005229 InChI Key: AFBBKYQYNPNMAT-UHFFFAOYSA-N Synonym: 1h-1,2,4-triazole-3-thiol,3-mercapto-1,2,4-triazole,1,2,4-triazole-3-thiol,mercaptotriazole,4h-1,2,4-triazole-3-thiol,s-triazole-3-thiol,3-mercapto-1h-1,2,4-triazole,1,2,4-triazole-5-thiol,1,3,4-triazine-2-thiol,1,3,4-triazole-2-thiol PubChem CID: 2723802 SMILES: S=C1NNC=N1

PubChem CID 2723802
CAS 3179-31-5
Molecular Weight (g/mol) 101.13
MDL Number MFCD00005229
SMILES S=C1NNC=N1
Synonym 1h-1,2,4-triazole-3-thiol,3-mercapto-1,2,4-triazole,1,2,4-triazole-3-thiol,mercaptotriazole,4h-1,2,4-triazole-3-thiol,s-triazole-3-thiol,3-mercapto-1h-1,2,4-triazole,1,2,4-triazole-5-thiol,1,3,4-triazine-2-thiol,1,3,4-triazole-2-thiol
InChI Key AFBBKYQYNPNMAT-UHFFFAOYSA-N
Molecular Formula C2H3N3S
11

3-Amino-5-mercapto-1,2,4-triazole, 97+%

CAS: 16691-43-3 Molecular Formula: C2H4N4S Molecular Weight (g/mol): 116.14 MDL Number: MFCD00005231 InChI Key: WZUUZPAYWFIBDF-UHFFFAOYSA-N Synonym: 3-amino-5-mercapto-1,2,4-triazole,iminothiourazole,3-imino-5-thiourazole,3-amino-1h-1,2,4-triazole-5-thiol,5-amino-4h-1,2,4-triazole-3-thiol,3-amino-1,2,4-triazole-5-thiol,s-triazole-3-thiol, 5-amino,3h-1,2,4-triazole-3-thione, 5-amino-1,2-dihydro,5-amino-1,2-dihydro-3h-1,2,4-triazole-3-thione,unii-353f2d8l1z PubChem CID: 2723869 SMILES: NC1=NC(=S)NN1

PubChem CID 2723869
CAS 16691-43-3
Molecular Weight (g/mol) 116.14
MDL Number MFCD00005231
SMILES NC1=NC(=S)NN1
Synonym 3-amino-5-mercapto-1,2,4-triazole,iminothiourazole,3-imino-5-thiourazole,3-amino-1h-1,2,4-triazole-5-thiol,5-amino-4h-1,2,4-triazole-3-thiol,3-amino-1,2,4-triazole-5-thiol,s-triazole-3-thiol, 5-amino,3h-1,2,4-triazole-3-thione, 5-amino-1,2-dihydro,5-amino-1,2-dihydro-3h-1,2,4-triazole-3-thione,unii-353f2d8l1z
InChI Key WZUUZPAYWFIBDF-UHFFFAOYSA-N
Molecular Formula C2H4N4S
12

4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole, 99+%, Thermo Scientific Chemicals

CAS: 1750-12-5 Molecular Formula: C2H6N6S Molecular Weight (g/mol): 146.172 MDL Number: MFCD00003098 InChI Key: RDIMQHBOTMWMJA-UHFFFAOYSA-N Synonym: 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole,purpald,4-amino-3-hydrazino-1,2,4-triazol-5-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, hydrazone,purpald r,4-amino-5-hydrazino-1,2,4-triazole-3-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, 3-hydrazone,4-amino-5-hydrazinyl-4h-1,2,4-triazole-3-thiol,3h-1,2,4-triazole-3-thione, 4-amino-5-hydrazinyl-2,4-dihydro,4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol PubChem CID: 2723946 IUPAC Name: 4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thione SMILES: C1(=S)NN=C(N1N)NN

PubChem CID 2723946
CAS 1750-12-5
Molecular Weight (g/mol) 146.172
MDL Number MFCD00003098
SMILES C1(=S)NN=C(N1N)NN
Synonym 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole,purpald,4-amino-3-hydrazino-1,2,4-triazol-5-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, hydrazone,purpald r,4-amino-5-hydrazino-1,2,4-triazole-3-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, 3-hydrazone,4-amino-5-hydrazinyl-4h-1,2,4-triazole-3-thiol,3h-1,2,4-triazole-3-thione, 4-amino-5-hydrazinyl-2,4-dihydro,4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol
IUPAC Name 4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thione
InChI Key RDIMQHBOTMWMJA-UHFFFAOYSA-N
Molecular Formula C2H6N6S
13

ethyle2-mercapto-1H-imidazole-4-carboxylate, 97%, Thermo Scientific™

CAS: 64038-64-8 Molecular Formula: C6H8N2O2S Molecular Weight (g/mol): 172.202 MDL Number: MFCD00068042 InChI Key: PONOGPICUOALRU-UHFFFAOYSA-N Synonym: ethyl 2-mercapto-1h-imidazole-4-carboxylate,4-ethoxycarbonylimidazole-2-thiol,usaf el-63,imidazole-2-thiol, 5-ethoxycarbonyl,2-mercapto-5-carbethoxyimidazole,imidazole, 2-mercapto-5-carbethoxy,ethyl 2-sulfanyl-1h-imidazole-4-carboxylate,2-mercapto-1h-imidazole-4-carboxylic acid ethyl ester,ethyl 2-mercaptoimidazole-4-carboxylate,maybridge1_005066 PubChem CID: 2736338 IUPAC Name: ethyl 2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate SMILES: CCOC(=O)C1=CNC(=S)N1

PubChem CID 2736338
CAS 64038-64-8
Molecular Weight (g/mol) 172.202
MDL Number MFCD00068042
SMILES CCOC(=O)C1=CNC(=S)N1
Synonym ethyl 2-mercapto-1h-imidazole-4-carboxylate,4-ethoxycarbonylimidazole-2-thiol,usaf el-63,imidazole-2-thiol, 5-ethoxycarbonyl,2-mercapto-5-carbethoxyimidazole,imidazole, 2-mercapto-5-carbethoxy,ethyl 2-sulfanyl-1h-imidazole-4-carboxylate,2-mercapto-1h-imidazole-4-carboxylic acid ethyl ester,ethyl 2-mercaptoimidazole-4-carboxylate,maybridge1_005066
IUPAC Name ethyl 2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
InChI Key PONOGPICUOALRU-UHFFFAOYSA-N
Molecular Formula C6H8N2O2S
14

2-Mercapto-1,3,4-thiadiazole, 98%

CAS: 18686-82-3 Molecular Formula: C2H2N2S2 Molecular Weight (g/mol): 118.172 MDL Number: MFCD00040404 InChI Key: JLAMDELLBBZOOX-UHFFFAOYSA-N Synonym: 2-mercapto-1,3,4-thiadiazole,1,3,4-thiadiazole-2-thiol,2-mercapto-1,3,4-thiadiazol,1,3,4-thiadiazole-2 3h-thione,1,3,4-thiadiazol-2-yl hydrosulfide,5-mercapto-1,3,4-thiadiazole,mtd:2-mereapto-1,3,4-thiadiazole,acmc-20ansd,pubchem10119,ksc177e6p PubChem CID: 3034302 IUPAC Name: 3H-1,3,4-thiadiazole-2-thione SMILES: C1=NNC(=S)S1

PubChem CID 3034302
CAS 18686-82-3
Molecular Weight (g/mol) 118.172
MDL Number MFCD00040404
SMILES C1=NNC(=S)S1
Synonym 2-mercapto-1,3,4-thiadiazole,1,3,4-thiadiazole-2-thiol,2-mercapto-1,3,4-thiadiazol,1,3,4-thiadiazole-2 3h-thione,1,3,4-thiadiazol-2-yl hydrosulfide,5-mercapto-1,3,4-thiadiazole,mtd:2-mereapto-1,3,4-thiadiazole,acmc-20ansd,pubchem10119,ksc177e6p
IUPAC Name 3H-1,3,4-thiadiazole-2-thione
InChI Key JLAMDELLBBZOOX-UHFFFAOYSA-N
Molecular Formula C2H2N2S2
15

5-Methylthio-1,3,4-thiadiazole-2-thiol, 97%, Thermo Scientific™

CAS: 6264-40-0 Molecular Formula: C3H4N2S3 Molecular Weight (g/mol): 164.259 MDL Number: MFCD00051648 InChI Key: CFWGYKRJMYXYND-UHFFFAOYSA-N Synonym: 5-methylthio-1,3,4-thiadiazole-2-thiol,2-mercapto-5-methylthio-1,3,4-thiadiazole,1,3,4-thiadiazole-2 3h-thione, 5-methylthio,5-methylsulfanyl-1,3,4-thiadiazole-2-thiol,5-methylthio-1,3,4-thiadiazole-2 3h-thione,5-methylsulfanyl-3h-1,3,4-thiadiazole-2-thione,maybridge1_000055,acmc-1b665,2-methylthio-1,3,4-thiadiazole-5-thiol PubChem CID: 1241233 IUPAC Name: 5-methylsulfanyl-3H-1,3,4-thiadiazole-2-thione SMILES: CSC1=NNC(=S)S1

PubChem CID 1241233
CAS 6264-40-0
Molecular Weight (g/mol) 164.259
MDL Number MFCD00051648
SMILES CSC1=NNC(=S)S1
Synonym 5-methylthio-1,3,4-thiadiazole-2-thiol,2-mercapto-5-methylthio-1,3,4-thiadiazole,1,3,4-thiadiazole-2 3h-thione, 5-methylthio,5-methylsulfanyl-1,3,4-thiadiazole-2-thiol,5-methylthio-1,3,4-thiadiazole-2 3h-thione,5-methylsulfanyl-3h-1,3,4-thiadiazole-2-thione,maybridge1_000055,acmc-1b665,2-methylthio-1,3,4-thiadiazole-5-thiol
IUPAC Name 5-methylsulfanyl-3H-1,3,4-thiadiazole-2-thione
InChI Key CFWGYKRJMYXYND-UHFFFAOYSA-N
Molecular Formula C3H4N2S3