pentane-1-sulfonyl chloride

• ChemBase ID: 272544
• Molecular Formular: C5H11ClO2S
• Molecular Mass: 170.65764
• Monoisotopic Mass: 170.01682827
• SMILES: S(=O)(=O)(Cl)CCCCC
• Canonical SMILES: CCCCCS(=O)(=O)Cl
• InChI: InChI=1S/C5H11ClO2S/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3
• InChIKey: PWQOZRPSDQKNPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentane-1-sulfonyl chloride
• IUPAC Traditional name: pentane-1-sulfonyl chloride
• Synonyms: pentane-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD04973900
• PubChem SID: 164328454
• PubChem CID: 237555

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7256796
• LogD (pH = 7.4): 1.7256796
• Log P: 1.7256796
• Molar Refractivity: 38.7016 cm^3
• Polarizability: 16.08277 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.783

Product Information

• Purity: 95%