Basic information
- Standard SMILES
CN1CS(=O)c2cccc(Cl)c21- InChIKey
XWSYNAXBWICDFH-UHFFFAOYSA-N- Molecular formula
- C8H8ClNOS
- Average molar mass
- 201.67 g/mol
Names & identifiers
- Preferred name
- 4-chloro-N-methylbenzothiazolone
- IUPAC
- 4-chloro-3-methyl-2H-1,3-benzothiazole 1-oxide
Names & synonyms
SCHEMBL60374504-chloro-N-methylbenzothiazolone4-chloro-3-methyl benzothiazoloneXWSYNAXBWICDFH-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 69645010
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 39.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 211
Related reactions
9 records
Compound notes
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