3-methylcyclopentane-1-sulfonyl chloride

• ChemBase ID: 248240
• Molecular Formular: C6H11ClO2S
• Molecular Mass: 182.66834
• Monoisotopic Mass: 182.01682827
• SMILES: S(=O)(=O)(C1CC(CC1)C)Cl
• Canonical SMILES: CC1CCC(C1)S(=O)(=O)Cl
• InChI: InChI=1S/C6H11ClO2S/c1-5-2-3-6(4-5)10(7,8)9/h5-6H,2-4H2,1H3
• InChIKey: LAWPWRMFASOZBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylcyclopentane-1-sulfonyl chloride
• IUPAC Traditional name: 3-methylcyclopentane-1-sulfonyl chloride
• Synonyms: 3-methylcyclopentane-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD20340461
• PubChem SID: 164304150
• PubChem CID: 64513855

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7511221
• LogD (pH = 7.4): 1.7511221
• Log P: 1.7511221
• Molar Refractivity: 41.3126 cm^3
• Polarizability: 17.198872 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.658

Product Information

• Purity: 95%