prop-1-ene-2-sulfonyl chloride

• ChemBase ID: 236436
• Molecular Formular: C3H5ClO2S
• Molecular Mass: 140.5886
• Monoisotopic Mass: 139.96987808
• SMILES: S(=O)(=O)(C(=C)C)Cl
• Canonical SMILES: CC(=C)S(=O)(=O)Cl
• InChI: InChI=1S/C3H5ClO2S/c1-3(2)7(4,5)6/h1H2,2H3
• InChIKey: XMTDOMOVYBJFSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prop-1-ene-2-sulfonyl chloride
• IUPAC Traditional name: prop-1-ene-2-sulfonyl chloride
• Synonyms: prop-1-ene-2-sulfonyl chloride

Database IDs

• MDL Number: MFCD19200127
• PubChem SID: 164292346
• PubChem CID: 18517206

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.83860415
• LogD (pH = 7.4): 0.83860415
• Log P: 0.83860415
• Molar Refractivity: 29.9859 cm^3
• Polarizability: 12.198271 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.579

Product Information

• Purity: 95%