1-[(chlorosulfonyl)methyl]cyclopropane-1-carbonyl chloride

• ChemBase ID: 284785
• Molecular Formular: C5H6Cl2O3S
• Molecular Mass: 217.07034
• Monoisotopic Mass: 215.94147041
• SMILES: C1(C(=O)Cl)(CC1)CS(=O)(=O)Cl
• Canonical SMILES: ClC(=O)C1(CC1)CS(=O)(=O)Cl
• InChI: InChI=1S/C5H6Cl2O3S/c6-4(8)5(1-2-5)3-11(7,9)10/h1-3H2
• InChIKey: TUWWWOKKYMWTKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(chlorosulfonyl)methyl]cyclopropane-1-carbonyl chloride
• IUPAC Traditional name: 1-[(chlorosulfonyl)methyl]cyclopropane-1-carbonyl chloride
• Synonyms: 1-[(chlorosulfonyl)methyl]cyclopropane-1-carbonyl chloride

Database IDs

• MDL Number: MFCD20502244
• PubChem SID: 180670316
• PubChem CID: 54596097

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8408123
• LogD (pH = 7.4): 0.8408123
• Log P: 0.8408123
• Molar Refractivity: 42.1428 cm^3
• Polarizability: 17.528025 Å^3
• Polar Surface Area: 51.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.524

Product Information

• Purity: 95%