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Benzothiazines

Aromatic organic heterocyclic compounds that consist of benzene fused with a thiazine; thiazines are six-membered rings that contain four carbon atoms, one nitrogen atom, and one sulfur atom.

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1

2-Methyl-3,4-dihydro-2H-1,4-benzothiazine, 97%, Thermo Scientific Chemicals

CAS: 58960-00-2 Molecular Formula: C9H11NS Molecular Weight (g/mol): 165.254 MDL Number: MFCD12027245 InChI Key: QZSCUJZRZIIVBM-UHFFFAOYSA-N Synonym: 2h-1,4-benzothiazine, 3,4-dihydro-2-methyl,3,4-dihydro-2-methyl-2h-1,4-benzothiazine,2-methyl-3,4-dihydro-2h-benzo b 1,4 thiazine PubChem CID: 13183653 IUPAC Name: 2-methyl-3,4-dihydro-2H-1,4-benzothiazine SMILES: CC1CNC2=CC=CC=C2S1

PubChem CID 13183653
CAS 58960-00-2
Molecular Weight (g/mol) 165.254
MDL Number MFCD12027245
SMILES CC1CNC2=CC=CC=C2S1
Synonym 2h-1,4-benzothiazine, 3,4-dihydro-2-methyl,3,4-dihydro-2-methyl-2h-1,4-benzothiazine,2-methyl-3,4-dihydro-2h-benzo b 1,4 thiazine
IUPAC Name 2-methyl-3,4-dihydro-2H-1,4-benzothiazine
InChI Key QZSCUJZRZIIVBM-UHFFFAOYSA-N
Molecular Formula C9H11NS
2

7-Nitro-3,4-dihydro-2H-1,4-benzothiazine, 97%, Thermo Scientific Chemicals

CAS: 69373-37-1 Molecular Formula: C8H8N2O2S Molecular Weight (g/mol): 196.22 MDL Number: MFCD23379852 InChI Key: LCOAYUPAESYAHF-UHFFFAOYSA-N Synonym: 7-nitro-3,4-dihydro-2h-benzo b 1,4 thiazine PubChem CID: 20496121 IUPAC Name: 7-nitro-3,4-dihydro-2H-1,4-benzothiazine SMILES: [O-][N+](=O)C1=CC2=C(NCCS2)C=C1

PubChem CID 20496121
CAS 69373-37-1
Molecular Weight (g/mol) 196.22
MDL Number MFCD23379852
SMILES [O-][N+](=O)C1=CC2=C(NCCS2)C=C1
Synonym 7-nitro-3,4-dihydro-2h-benzo b 1,4 thiazine
IUPAC Name 7-nitro-3,4-dihydro-2H-1,4-benzothiazine
InChI Key LCOAYUPAESYAHF-UHFFFAOYSA-N
Molecular Formula C8H8N2O2S
3

7-Bromo-3,4-dihydro-2H-1,4-benzothiazine, 97%, Thermo Scientific Chemicals

CAS: 193414-60-7 Molecular Formula: C8H8BrNS Molecular Weight (g/mol): 230.12 MDL Number: MFCD11847754 InChI Key: QWWYGAWGUCQKDL-UHFFFAOYSA-N Synonym: 7-bromo-3,4-dihydro-2h-benzo b 1,4 thiazine PubChem CID: 83823811 IUPAC Name: 7-bromo-3,4-dihydro-2H-1,4-benzothiazine SMILES: BrC1=CC2=C(NCCS2)C=C1

PubChem CID 83823811
CAS 193414-60-7
Molecular Weight (g/mol) 230.12
MDL Number MFCD11847754
SMILES BrC1=CC2=C(NCCS2)C=C1
Synonym 7-bromo-3,4-dihydro-2h-benzo b 1,4 thiazine
IUPAC Name 7-bromo-3,4-dihydro-2H-1,4-benzothiazine
InChI Key QWWYGAWGUCQKDL-UHFFFAOYSA-N
Molecular Formula C8H8BrNS
4

Thermo Scientific Chemicals Meloxicam, 99-101%

CAS: 71125-38-7 Molecular Formula: C14H13N3O4S2 Molecular Weight (g/mol): 351.40 MDL Number: MFCD00868752 InChI Key: DWMREKMVXIFPFM-ACCUITESSA-N Synonym: meloxicam,mobic,metacam,movalis,meloxicamum,mobicox,mobec,meloxicam mobic,movatec,parocin PubChem CID: 54677470 ChEBI: CHEBI:6741 IUPAC Name: 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1$l^{6},2-benzothiazine-3-carboxamide SMILES: CN1\C(=C(\O)NC2=NC=C(C)S2)C(=O)C2=CC=CC=C2S1(=O)=O

PubChem CID 54677470
CAS 71125-38-7
Molecular Weight (g/mol) 351.40
ChEBI CHEBI:6741
MDL Number MFCD00868752
SMILES CN1\C(=C(\O)NC2=NC=C(C)S2)C(=O)C2=CC=CC=C2S1(=O)=O
Synonym meloxicam,mobic,metacam,movalis,meloxicamum,mobicox,mobec,meloxicam mobic,movatec,parocin
IUPAC Name 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1$l^{6},2-benzothiazine-3-carboxamide
InChI Key DWMREKMVXIFPFM-ACCUITESSA-N
Molecular Formula C14H13N3O4S2
5

3,4-Dihydro-2H-1,4-benzothiazine, 97%

CAS: 3080-99-7 Molecular Formula: C8H9NS Molecular Weight (g/mol): 151.23 MDL Number: MFCD04038593 InChI Key: YBBLSBDJIKMXNQ-UHFFFAOYSA-N Synonym: 3,4-dihydro-2h-benzo b 1,4 thiazine,2,3-dihydro-1,4-benzothiazine,3,4-dihydro-2h-benzo 1,4 thiazine,2h-1,4-benzothiazine, 3,4-dihydro,benzothiomorpholine,thiaphenomorpholine,2,3-dihydrobenzo-1,4-thiazine,2,3-dihydro-4h-1,4-benzothiazine,2h,3h,4h-benzo e 1,4-thiazine,2h-1,4-benzothiazine,3,4-dihydro PubChem CID: 151064 IUPAC Name: 3,4-dihydro-2H-1,4-benzothiazine SMILES: C1CSC2=CC=CC=C2N1

PubChem CID 151064
CAS 3080-99-7
Molecular Weight (g/mol) 151.23
MDL Number MFCD04038593
SMILES C1CSC2=CC=CC=C2N1
Synonym 3,4-dihydro-2h-benzo b 1,4 thiazine,2,3-dihydro-1,4-benzothiazine,3,4-dihydro-2h-benzo 1,4 thiazine,2h-1,4-benzothiazine, 3,4-dihydro,benzothiomorpholine,thiaphenomorpholine,2,3-dihydrobenzo-1,4-thiazine,2,3-dihydro-4h-1,4-benzothiazine,2h,3h,4h-benzo e 1,4-thiazine,2h-1,4-benzothiazine,3,4-dihydro
IUPAC Name 3,4-dihydro-2H-1,4-benzothiazine
InChI Key YBBLSBDJIKMXNQ-UHFFFAOYSA-N
Molecular Formula C8H9NS
6

Thermo Scientific Chemicals Giemsa Stain

CAS: 51811-82-6 Molecular Formula: C14H14ClN3S Molecular Weight (g/mol): 291.80 MDL Number: MFCD00012112,MFCD00081642 InChI Key: NALREUIWICQLPS-UHFFFAOYSA-N Synonym: azure a,dimethylthionine,giemsa stain,azur a,n,n-dimethylthionine,3-amino-7-dimethylamino phenothiazin-5-ium chloride,methylene azure a,giemsa solution,3-amino-7-dimethylaminophenazathionium chloride,unii-m731v243ef PubChem CID: 13735 IUPAC Name: (7-aminophenothiazin-3-ylidene)-dimethylazanium;chloride SMILES: [Cl-].C[N+](C)=C1C=CC2=NC3=CC=C(N)C=C3SC2=C1

PubChem CID 13735
CAS 51811-82-6
Molecular Weight (g/mol) 291.80
MDL Number MFCD00012112,MFCD00081642
SMILES [Cl-].C[N+](C)=C1C=CC2=NC3=CC=C(N)C=C3SC2=C1
Synonym azure a,dimethylthionine,giemsa stain,azur a,n,n-dimethylthionine,3-amino-7-dimethylamino phenothiazin-5-ium chloride,methylene azure a,giemsa solution,3-amino-7-dimethylaminophenazathionium chloride,unii-m731v243ef
IUPAC Name (7-aminophenothiazin-3-ylidene)-dimethylazanium;chloride
InChI Key NALREUIWICQLPS-UHFFFAOYSA-N
Molecular Formula C14H14ClN3S
7

7-Bromo-2H-1,4-benzothiazin-3(4H)-one, 97%

CAS: 90814-91-8 Molecular Formula: C8H6BrNOS Molecular Weight (g/mol): 244.11 MDL Number: MFCD02660583 InChI Key: MDFPWMKBRDOSGB-UHFFFAOYSA-N Synonym: 7-bromo-2h-1,4-benzothiazin-3 4h-one,7-bromo-2h-benzo b 1,4 thiazin-3 4h-one,7-bromo-3,4-dihydro-2h-1,4-benzothiazin-3-one,7-bromo-2h,4h-benzo e 1,4-thiazin-3-one,7-bromo-2,4-dihydro-1,4-benzothiazin-3-one,2h-1,4-benzothiazin-3 4h-one, 7-bromo,7-bromo-4h-benzo 1,4 thiazin-3-one PubChem CID: 689065 SMILES: BrC1=CC2=C(NC(=O)CS2)C=C1

PubChem CID 689065
CAS 90814-91-8
Molecular Weight (g/mol) 244.11
MDL Number MFCD02660583
SMILES BrC1=CC2=C(NC(=O)CS2)C=C1
Synonym 7-bromo-2h-1,4-benzothiazin-3 4h-one,7-bromo-2h-benzo b 1,4 thiazin-3 4h-one,7-bromo-3,4-dihydro-2h-1,4-benzothiazin-3-one,7-bromo-2h,4h-benzo e 1,4-thiazin-3-one,7-bromo-2,4-dihydro-1,4-benzothiazin-3-one,2h-1,4-benzothiazin-3 4h-one, 7-bromo,7-bromo-4h-benzo 1,4 thiazin-3-one
InChI Key MDFPWMKBRDOSGB-UHFFFAOYSA-N
Molecular Formula C8H6BrNOS
8

6-Bromo-3,4-dihydro-2H-1,4-benzothiazine, 97%

CAS: 187604-75-7 Molecular Formula: C8H8BrNS Molecular Weight (g/mol): 230.123 MDL Number: MFCD23379863 InChI Key: AUIBYERXYVUBIL-UHFFFAOYSA-N Synonym: 6-bromo-3,4-dihydro-2h-benzo b 1,4 thiazine PubChem CID: 67172430 IUPAC Name: 6-bromo-3,4-dihydro-2H-1,4-benzothiazine SMILES: C1CSC2=C(N1)C=C(C=C2)Br

PubChem CID 67172430
CAS 187604-75-7
Molecular Weight (g/mol) 230.123
MDL Number MFCD23379863
SMILES C1CSC2=C(N1)C=C(C=C2)Br
Synonym 6-bromo-3,4-dihydro-2h-benzo b 1,4 thiazine
IUPAC Name 6-bromo-3,4-dihydro-2H-1,4-benzothiazine
InChI Key AUIBYERXYVUBIL-UHFFFAOYSA-N
Molecular Formula C8H8BrNS
9

Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate, 97%

CAS: 188614-01-9 Molecular Formula: C10H9NO3S Molecular Weight (g/mol): 223.25 MDL Number: MFCD00449104 InChI Key: UFSVRHNRNVVBJR-UHFFFAOYSA-N PubChem CID: 699501 IUPAC Name: methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate SMILES: COC(=O)C1=CC2=C(SCC(=O)N2)C=C1

PubChem CID 699501
CAS 188614-01-9
Molecular Weight (g/mol) 223.25
MDL Number MFCD00449104
SMILES COC(=O)C1=CC2=C(SCC(=O)N2)C=C1
IUPAC Name methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
InChI Key UFSVRHNRNVVBJR-UHFFFAOYSA-N
Molecular Formula C10H9NO3S
10

Azure I

CAS: 531-55-5 Molecular Formula: C15H16ClN3S Molecular Weight (g/mol): 305.824 MDL Number: MFCD00011935 InChI Key: DNDJEIWCTMMZBX-UHFFFAOYSA-N Synonym: azure b,azure i,methylene azure b,3-dimethylamino-7-methylamino phenothiazin-5-ium chloride,trimethylthionine chloride,azur i,methyleneazure,methylene azure van,unii-7c8bel8wqv,modr kresylova bb czech PubChem CID: 68275 IUPAC Name: dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium;chloride SMILES: CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]

PubChem CID 68275
CAS 531-55-5
Molecular Weight (g/mol) 305.824
MDL Number MFCD00011935
SMILES CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]
Synonym azure b,azure i,methylene azure b,3-dimethylamino-7-methylamino phenothiazin-5-ium chloride,trimethylthionine chloride,azur i,methyleneazure,methylene azure van,unii-7c8bel8wqv,modr kresylova bb czech
IUPAC Name dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium;chloride
InChI Key DNDJEIWCTMMZBX-UHFFFAOYSA-N
Molecular Formula C15H16ClN3S
11

4-(2-Chloroacetyl)-2H-1,4-benzothiazine, 97%, Thermo Scientific™

CAS: 20751-75-1 Molecular Formula: C10H10ClNOS Molecular Weight (g/mol): 227.706 MDL Number: MFCD06655687 InChI Key: AYFZGNOUGDUMDS-UHFFFAOYSA-N Synonym: 4-chloroacetyl-3,4-dihydro-2h-1,4-benzothiazine,4-2-chloroacetyl-2h-1,4-benzothiazine,2-chloro-1-3,4-dihydro-2h-1,4-benzothiazin-4-yl ethan-1-one,2-chloro-1-2,3-dihydro-1,4-benzothiazin-4-yl ethanone,ethanone, 2-chloro-1-2,3-dihydro-4h-1,4-benzothiazin-4-yl,2-chloro-1-10-thia-7-azabicyclo 4.4.0 deca-1,3,5-trien-7-yl ethanone,1-2h-benzo b 1,4 thiazin-4 3h-yl-2-chloroethanone,2-chloro-1-2,3-dihydro-4h-1,4-benzothiazin-4-yl ethan-1-one PubChem CID: 4962259 IUPAC Name: 2-chloro-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone SMILES: C1CSC2=CC=CC=C2N1C(=O)CCl

PubChem CID 4962259
CAS 20751-75-1
Molecular Weight (g/mol) 227.706
MDL Number MFCD06655687
SMILES C1CSC2=CC=CC=C2N1C(=O)CCl
Synonym 4-chloroacetyl-3,4-dihydro-2h-1,4-benzothiazine,4-2-chloroacetyl-2h-1,4-benzothiazine,2-chloro-1-3,4-dihydro-2h-1,4-benzothiazin-4-yl ethan-1-one,2-chloro-1-2,3-dihydro-1,4-benzothiazin-4-yl ethanone,ethanone, 2-chloro-1-2,3-dihydro-4h-1,4-benzothiazin-4-yl,2-chloro-1-10-thia-7-azabicyclo 4.4.0 deca-1,3,5-trien-7-yl ethanone,1-2h-benzo b 1,4 thiazin-4 3h-yl-2-chloroethanone,2-chloro-1-2,3-dihydro-4h-1,4-benzothiazin-4-yl ethan-1-one
IUPAC Name 2-chloro-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
InChI Key AYFZGNOUGDUMDS-UHFFFAOYSA-N
Molecular Formula C10H10ClNOS
12

7-Methoxy-1,4-benzothiazin-3(4H)-one, 97%, Thermo Scientific™

CAS: 22726-30-3 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.236 MDL Number: MFCD02660686 InChI Key: ZITGVVWIRFDIBZ-UHFFFAOYSA-N Synonym: 7-methoxy-1,4-benzothiazin-3-one,7-methoxy-1,4-benzothiazin-3 4h-one,7-methoxy-2h-benzo b 1,4 thiazin-3 4h-one,7-methoxy-2h-1,4-benzothiazin-3 4h-one,7-methoxy-2h,4h-benzo e 1,4-thiazin-3-one,7-methoxy-2,4-dihydro-1,4-benzothiazin-3-one,acmc-209fyd,2h-1,4-benzothiazin-3 4h-one,7-methoxy,7-methoxy-2h-1,4-benzothiazine-3 4h-one PubChem CID: 403666 IUPAC Name: 7-methoxy-4H-1,4-benzothiazin-3-one SMILES: COC1=CC2=C(C=C1)NC(=O)CS2

PubChem CID 403666
CAS 22726-30-3
Molecular Weight (g/mol) 195.236
MDL Number MFCD02660686
SMILES COC1=CC2=C(C=C1)NC(=O)CS2
Synonym 7-methoxy-1,4-benzothiazin-3-one,7-methoxy-1,4-benzothiazin-3 4h-one,7-methoxy-2h-benzo b 1,4 thiazin-3 4h-one,7-methoxy-2h-1,4-benzothiazin-3 4h-one,7-methoxy-2h,4h-benzo e 1,4-thiazin-3-one,7-methoxy-2,4-dihydro-1,4-benzothiazin-3-one,acmc-209fyd,2h-1,4-benzothiazin-3 4h-one,7-methoxy,7-methoxy-2h-1,4-benzothiazine-3 4h-one
IUPAC Name 7-methoxy-4H-1,4-benzothiazin-3-one
InChI Key ZITGVVWIRFDIBZ-UHFFFAOYSA-N
Molecular Formula C9H9NO2S
13

Ethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate, 98%, Thermo Scientific™

CAS: 7625-01-6 MDL Number: MFCD00173950 PubChem CID: 360308 IUPAC Name: ethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate SMILES: CCOC(=O)C1=C(NC2=CC=CC=C2S1)C

PubChem CID 360308
CAS 7625-01-6
MDL Number MFCD00173950
SMILES CCOC(=O)C1=C(NC2=CC=CC=C2S1)C
IUPAC Name ethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate
14

6-Nitro-2H-1,4-benzothiazin-3(4H)-one, 97%, Thermo Scientific™

CAS: 21762-74-3 Molecular Formula: C8H6N2O3S Molecular Weight (g/mol): 210.21 MDL Number: MFCD00456556 InChI Key: BALSKAVZBPPKCS-UHFFFAOYSA-N Synonym: 6-nitro-2h-benzo b 1,4 thiazin-3 4h-one,6-nitro-2h-1,4-benzothiazin-3 4h-one,2h-1,4-benzothiazin-3 4h-one, 6-nitro,6-nitro-2,4-dihydro-1,4-benzothiazin-3-one,2h-1,4-benzothiazin-3 4h-one,6-nitro,6-nitro-2h-benzo b-1,4 thiazin-3 4h-one,6-nitro-3,4-dihydro-2h-1,4-benzothiazin-3-one PubChem CID: 4182356 IUPAC Name: 6-nitro-3,4-dihydro-2H-1,4-benzothiazin-3-one SMILES: [O-][N+](=O)C1=CC2=C(SCC(=O)N2)C=C1

PubChem CID 4182356
CAS 21762-74-3
Molecular Weight (g/mol) 210.21
MDL Number MFCD00456556
SMILES [O-][N+](=O)C1=CC2=C(SCC(=O)N2)C=C1
Synonym 6-nitro-2h-benzo b 1,4 thiazin-3 4h-one,6-nitro-2h-1,4-benzothiazin-3 4h-one,2h-1,4-benzothiazin-3 4h-one, 6-nitro,6-nitro-2,4-dihydro-1,4-benzothiazin-3-one,2h-1,4-benzothiazin-3 4h-one,6-nitro,6-nitro-2h-benzo b-1,4 thiazin-3 4h-one,6-nitro-3,4-dihydro-2h-1,4-benzothiazin-3-one
IUPAC Name 6-nitro-3,4-dihydro-2H-1,4-benzothiazin-3-one
InChI Key BALSKAVZBPPKCS-UHFFFAOYSA-N
Molecular Formula C8H6N2O3S
15

2-Methyl-2H-1,4-benzothiazin-3(4H)-one, 97%, Thermo Scientific™

CAS: 7028-57-1 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.24 MDL Number: MFCD02941599 InChI Key: MCEOSIYJRZMQNS-UHFFFAOYNA-N Synonym: 2-methyl-2h-1,4-benzothiazin-3 4h-one,2h-1,4-benzothiazin-3 4h-one, 2-methyl,2-methyl-2h-benzo b 1,4 thiazin-3 4h-one,2-methyl-3,4-dihydro-2h-1,4-benzothiazin-3-one,2-methyl-2,4-dihydro-1,4-benzothiazin-3-one,2-methyl-4h-benzo 1,4 thiazin-3-one,2-methyl-4h-benzo e 1,4-thiazaperhydroin-3-one PubChem CID: 3803849 IUPAC Name: 2-methyl-4H-1,4-benzothiazin-3-one SMILES: CC1SC2=CC=CC=C2NC1=O

PubChem CID 3803849
CAS 7028-57-1
Molecular Weight (g/mol) 179.24
MDL Number MFCD02941599
SMILES CC1SC2=CC=CC=C2NC1=O
Synonym 2-methyl-2h-1,4-benzothiazin-3 4h-one,2h-1,4-benzothiazin-3 4h-one, 2-methyl,2-methyl-2h-benzo b 1,4 thiazin-3 4h-one,2-methyl-3,4-dihydro-2h-1,4-benzothiazin-3-one,2-methyl-2,4-dihydro-1,4-benzothiazin-3-one,2-methyl-4h-benzo 1,4 thiazin-3-one,2-methyl-4h-benzo e 1,4-thiazaperhydroin-3-one
IUPAC Name 2-methyl-4H-1,4-benzothiazin-3-one
InChI Key MCEOSIYJRZMQNS-UHFFFAOYNA-N
Molecular Formula C9H9NOS