(2,2-dichlorocyclopropyl)methanesulfonyl chloride

• ChemBase ID: 259234
• Molecular Formular: C4H5Cl3O2S
• Molecular Mass: 223.5053
• Monoisotopic Mass: 221.90758344
• SMILES: C1(C(C1)CS(=O)(=O)Cl)(Cl)Cl
• Canonical SMILES: ClS(=O)(=O)CC1CC1(Cl)Cl
• InChI: InChI=1S/C4H5Cl3O2S/c5-4(6)1-3(4)2-10(7,8)9/h3H,1-2H2
• InChIKey: RIXYDQHHAVBYAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dichlorocyclopropyl)methanesulfonyl chloride
• IUPAC Traditional name: (2,2-dichlorocyclopropyl)methanesulfonyl chloride
• Synonyms: (2,2-dichlorocyclopropyl)methanesulfonyl chloride

Database IDs

• MDL Number: MFCD11857994
• PubChem SID: 164315144
• PubChem CID: 45791405

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4669297
• LogD (pH = 7.4): 1.4669297
• Log P: 1.4669297
• Molar Refractivity: 42.1858 cm^3
• Polarizability: 17.465004 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.094

Product Information

• Purity: 95%