1,2-Benzothiazolin-3-one, 6-methyl-

HCID 96023

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Basic information

CAS: 4337-47-7
Standard SMILES: Cc1ccc2c(=O)[nH]sc2c1
InChIKey: MKOBQYYGSDGUMU-UHFFFAOYSA-N
Molecular formula: C8H7NOS
Average molar mass: 165.21 g/mol
Monoisotopic mass: 165.02483502

Names & identifiers

Preferred name: 1,2-Benzothiazolin-3-one, 6-methyl-
IUPAC: 6-methyl-1,2-benzothiazol-3-one
English name: 6-Methylbenzo[d]isothiazol-3(2H)-one
Molecular formula: C8H7NOS
Molecular weight: 165.21

Names & synonyms

4337-47-71,2-Benzothiazolin-3-one, 6-methyl-6-Methyl-1,2-benzisothiazolone6-Methyl-1,2-benzisothiazolin-3-oneNSC 48653BRN 0637993DTXSID50195834RefChem:215624DTXCID901183256-Methylbenzo[d]isothiazol-3(2H)-one1,2-Benzisothiazol-3(2H)-one, 6-methyl-MFCD01659020

Show more names

6-methyl-2,3-dihydro-1,2-benzothiazol-3-one6-Methylbenzisothiazol-3(2H)-oneNSC-486536-methyl-1,2-benzothiazol-3-one6-methyl-1,2-benzothiazol-3(2h)-oneNSC486533VZG7NS559CHEMBL2004221

Database identifiers

CAS: 4337-47-7
PubChem CID: 96023
DTXSID: DTXSID50195834
ChEMBL: CHEMBL2004221
UNII: 3VZG7NS559

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 183

Physicochemical properties

Density: 1.302 · 1.302±0.06 g/cm3(Predicted)
pka: 10.93 · 10.93±0.20(Predicted)

Chemistry & industry

Suppliers12 total

荟达医药科技(上海)有限公司15173502222 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]

上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]

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