Basic information
- Standard SMILES
CC(C)N1C(=O)C(Cl)=C(c2ccccc2)S1(=O)=O- InChIKey
QFYXLFYEARETHG-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO3S
- Average molar mass
- 285.75 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide
- IUPAC
- 4-chloro-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one
Names & synonyms
4-Chloro-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide897918-10-4SCHEMBL2000813QFYXLFYEARETHG-UHFFFAOYSA-NDB-305590
Database identifiers
- PubChem CID
- 67243160
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 484
Related reactions
71 records
Compound notes
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