2-methoxypropane-1-sulfonyl chloride

• ChemBase ID: 242388
• Molecular Formular: C4H9ClO3S
• Molecular Mass: 172.63046
• Monoisotopic Mass: 171.99609283
• SMILES: S(=O)(=O)(CC(OC)C)Cl
• Canonical SMILES: COC(CS(=O)(=O)Cl)C
• InChI: InChI=1S/C4H9ClO3S/c1-4(8-2)3-9(5,6)7/h4H,3H2,1-2H3
• InChIKey: YSUQEHZXWOVZCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypropane-1-sulfonyl chloride
• IUPAC Traditional name: 2-methoxypropane-1-sulfonyl chloride
• Synonyms: 2-methoxypropane-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD22578488
• PubChem SID: 164298298
• PubChem CID: 71757010

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.32681146
• LogD (pH = 7.4): 0.32681146
• Log P: 0.32681146
• Molar Refractivity: 35.6893 cm^3
• Polarizability: 15.032036 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.718

Product Information

• Purity: 95%