butyl methanesulfonate

• ChemBase ID: 287407
• Molecular Formular: C5H12O3S
• Molecular Mass: 152.21198
• Monoisotopic Mass: 152.05071524
• SMILES: CS(=O)(=O)OCCCC
• Canonical SMILES: CCCCOS(=O)(=O)C
• InChI: InChI=1S/C5H12O3S/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3
• InChIKey: LFLBHTZRLVHUQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl methanesulfonate
• IUPAC Traditional name: butane, methylsulfonyloxy-
• Synonyms: Butyl methanesulfonate

Database IDs

• CAS Number: 1912-32-9
• MDL Number: MFCD00041257
• PubChem SID: 180672938
• PubChem CID: 15953

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7414862
• LogD (pH = 7.4): 0.7414862
• Log P: 0.7414862
• Molar Refractivity: 34.8874 cm^3
• Polarizability: 14.87081 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%