cyclohex-3-ene-1-sulfonyl chloride

• ChemBase ID: 242980
• Molecular Formular: C6H9ClO2S
• Molecular Mass: 180.65246
• Monoisotopic Mass: 180.00117821
• SMILES: S(=O)(=O)(C1CC=CCC1)Cl
• Canonical SMILES: ClS(=O)(=O)C1CCC=CC1
• InChI: InChI=1S/C6H9ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-2,6H,3-5H2
• InChIKey: WMXMQKPNGZDMHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohex-3-ene-1-sulfonyl chloride
• IUPAC Traditional name: cyclohex-3-ene-1-sulfonyl chloride
• Synonyms: cyclohex-3-ene-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD19200422
• PubChem SID: 164298890
• PubChem CID: 55279907

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5467501
• LogD (pH = 7.4): 1.5467501
• Log P: 1.5467501
• Molar Refractivity: 42.4816 cm^3
• Polarizability: 16.947868 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.214

Product Information

• Purity: 95%