(1-cyanocyclopentyl)methanesulfonyl chloride

• ChemBase ID: 246409
• Molecular Formular: C7H10ClNO2S
• Molecular Mass: 207.6778
• Monoisotopic Mass: 207.01207725
• SMILES: S(=O)(=O)(CC1(C#N)CCCC1)Cl
• Canonical SMILES: N#CC1(CCCC1)CS(=O)(=O)Cl
• InChI: InChI=1S/C7H10ClNO2S/c8-12(10,11)6-7(5-9)3-1-2-4-7/h1-4,6H2
• InChIKey: RQYHNUXCRCHDFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyanocyclopentyl)methanesulfonyl chloride
• IUPAC Traditional name: (1-cyanocyclopentyl)methanesulfonyl chloride
• Synonyms: (1-cyanocyclopentyl)methanesulfonyl chloride

Database IDs

• PubChem SID: 164302319
• PubChem CID: 71757983

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2545689
• LogD (pH = 7.4): 1.2545689
• Log P: 1.2545689
• Molar Refractivity: 46.4656 cm^3
• Polarizability: 18.928324 Å^3
• Polar Surface Area: 57.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.054

Product Information

• Purity: 95%