(chlorosulfanyl)benzene

• ChemBase ID: 176650
• Molecular Formular: C6H5ClS
• Molecular Mass: 144.6219
• Monoisotopic Mass: 143.98004884
• SMILES: c1cccc(c1)SCl
• Canonical SMILES: ClSc1ccccc1
• InChI: InChI=1S/C6H5ClS/c7-8-6-4-2-1-3-5-6/h1-5H
• InChIKey: JWUKZUIGOJBEPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (chlorosulfanyl)benzene
• IUPAC Traditional name: (chlorosulfanyl)benzene
• Synonyms: Phenyl-sulfoniumylidene Chloride; Phenyl-sulfonium Chloride

Database IDs

• CAS Number: 643767-79-7
• PubChem SID: 164232560
• PubChem CID: 11008040

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8286676
• LogD (pH = 7.4): 2.8286676
• Log P: 2.8286676
• Molar Refractivity: 37.3664 cm^3
• Polarizability: 15.221233 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Red Oil