3-chloroprop-1-ene-2-sulfonyl chloride

• ChemBase ID: 247139
• Molecular Formular: C3H4Cl2O2S
• Molecular Mass: 175.03366
• Monoisotopic Mass: 173.93090573
• SMILES: S(=O)(=O)(C(=C)CCl)Cl
• Canonical SMILES: ClCC(=C)S(=O)(=O)Cl
• InChI: InChI=1S/C3H4Cl2O2S/c1-3(2-4)8(5,6)7/h1-2H2
• InChIKey: DTRVXXBLQQSDEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloroprop-1-ene-2-sulfonyl chloride
• IUPAC Traditional name: 3-chloroprop-1-ene-2-sulfonyl chloride
• Synonyms: 3-chloroprop-1-ene-2-sulfonyl chloride

Database IDs

• MDL Number: MFCD19200631
• PubChem SID: 164303049
• PubChem CID: 55280037

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.146286
• LogD (pH = 7.4): 1.146286
• Log P: 1.146286
• Molar Refractivity: 34.5806 cm^3
• Polarizability: 14.136982 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.516

Product Information

• Purity: 95%