(3-methyloxetan-3-yl)methanesulfonyl chloride

• ChemBase ID: 274495
• Molecular Formular: C5H9ClO3S
• Molecular Mass: 184.64116
• Monoisotopic Mass: 183.99609283
• SMILES: S(=O)(=O)(CC1(COC1)C)Cl
• Canonical SMILES: CC1(COC1)CS(=O)(=O)Cl
• InChI: InChI=1S/C5H9ClO3S/c1-5(2-9-3-5)4-10(6,7)8/h2-4H2,1H3
• InChIKey: OFXCRGWRDCBDEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methyloxetan-3-yl)methanesulfonyl chloride
• IUPAC Traditional name: (3-methyloxetan-3-yl)methanesulfonyl chloride
• Synonyms: (3-methyloxetan-3-yl)methanesulfonyl chloride

Database IDs

• MDL Number: MFCD18838841
• PubChem SID: 164330405
• PubChem CID: 53484656

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.17967725
• LogD (pH = 7.4): 0.17967725
• Log P: 0.17967725
• Molar Refractivity: 38.4086 cm^3
• Polarizability: 16.14532 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.493

Product Information

• Purity: 95%