ST039165
Basic information
- CAS
4299-23-4- Standard SMILES
Cc1ccccc1-n1sc2ccccc2c1=O- InChIKey
KKEJCKRIXMXTOB-UHFFFAOYSA-N- Molecular formula
- C14H11NOS
- Average molar mass
- 241.31 g/mol
- Monoisotopic mass
- 241.05613515
Names & identifiers
- Preferred name
- ST039165
- IUPAC
- 2-(2-methylphenyl)-1,2-benzothiazol-3-one
Names & synonyms
4299-23-4ST039165DTXSID30352569RefChem:381356DTXCID503036342-(2-methylphenyl)-1,2-benzothiazol-3-one1,2-Benzisothiazol-3(2H)-one, 2-(2-methylphenyl)-SCHEMBL8372604CHEMBL2094279KKEJCKRIXMXTOB-UHFFFAOYSA-N2-O-Tolyl-benzo[d]isothiazol-3-oneSRI-35796
Show more names
2-(o-tolyl)-1,2-benzothiazol-3-one2-(2-methylphenyl)-1,2-benzothiazol-3(2H)-oneSR-010005383372-(2-methylphenyl)-2-hydrobenzo[d]isothiazol-3-oneSR-01000538337-1
Database identifiers
- CAS
4299-23-4- PubChem CID
- 729482
- DTXSID
DTXSID30352569- ChEMBL
CHEMBL2094279
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
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Related reactions
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Compound notes
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