cyclopentylmethanesulfonyl chloride

• ChemBase ID: 76415
• Molecular Formular: C6H11ClO2S
• Molecular Mass: 182.66834
• Monoisotopic Mass: 182.01682827
• SMILES: S(=O)(=O)(CC1CCCC1)Cl
• Canonical SMILES: ClS(=O)(=O)CC1CCCC1
• InChI: InChI=1S/C6H11ClO2S/c7-10(8,9)5-6-3-1-2-4-6/h6H,1-5H2
• InChIKey: FKELTSTWLHPFMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentylmethanesulfonyl chloride
• IUPAC Traditional name: cyclopentylmethanesulfonyl chloride
• Synonyms: cyclopentylmethanesulfonyl chloride; 1-[(Chlorosulphonyl)methyl]cyclopentane; Cyclopentylmethylsulphonyl chloride

Database IDs

• MDL Number: MFCD05863880
• PubChem SID: 162041320
• PubChem CID: 2735404

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6269265
• LogD (pH = 7.4): 1.6269265
• Log P: 1.6269265
• Molar Refractivity: 41.371 cm^3
• Polarizability: 17.198662 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.758

Safety Information

• Storage Warning: Corrosive/Store under Argon

Product Information

• Purity: 95%