2-cyclopropylethane-1-sulfonyl chloride

• ChemBase ID: 242483
• Molecular Formular: C5H9ClO2S
• Molecular Mass: 168.64176
• Monoisotopic Mass: 168.00117821
• SMILES: S(=O)(=O)(Cl)CCC1CC1
• Canonical SMILES: ClS(=O)(=O)CCC1CC1
• InChI: InChI=1S/C5H9ClO2S/c6-9(7,8)4-3-5-1-2-5/h5H,1-4H2
• InChIKey: QJVYBAAMABSOKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylethane-1-sulfonyl chloride
• IUPAC Traditional name: 2-cyclopropylethanesulfonyl chloride
• Synonyms: 2-cyclopropylethane-1-sulfonyl chloride; 2-cyclopropylethanesulfonyl chloride

Database IDs

• CAS Number: 1196155-54-0
• MDL Number: MFCD13190121
• PubChem SID: 164298393
• PubChem CID: 55279594

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1044042
• LogD (pH = 7.4): 1.1044042
• Log P: 1.1044042
• Molar Refractivity: 36.847 cm^3
• Polarizability: 15.380192 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.169

Product Information

• Purity: 95%; 98%