Basic information
- Standard SMILES
CN1C(=O)C(Cl)=C(c2ccccc2)S1(=O)=O- InChIKey
NBHFZKXINUXGPE-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO3S
- Average molar mass
- 257.69 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-2-methyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide
- IUPAC
- 4-chloro-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
Names & synonyms
SCHEMBL3487967NBHFZKXINUXGPE-UHFFFAOYSA-N4-Chloro-2-methyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide
Database identifiers
- PubChem CID
- 68662017
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 443
Related reactions
14 records
Compound notes
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