2-(chlorosulfonyl)-2-methylpropanoyl chloride

• ChemBase ID: 286342
• Molecular Formular: C4H6Cl2O3S
• Molecular Mass: 205.05964
• Monoisotopic Mass: 203.94147041
• SMILES: S(=O)(=O)(C(C(=O)Cl)(C)C)Cl
• Canonical SMILES: ClC(=O)C(S(=O)(=O)Cl)(C)C
• InChI: InChI=1S/C4H6Cl2O3S/c1-4(2,3(5)7)10(6,8)9/h1-2H3
• InChIKey: BCHWDBSAPGURDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chlorosulfonyl)-2-methylpropanoyl chloride
• IUPAC Traditional name: 2-(chlorosulfonyl)-2-methylpropanoyl chloride
• Synonyms: 2-(chlorosulfonyl)-2-methylpropanoyl chloride

Database IDs

• MDL Number: MFCD19200092
• PubChem SID: 180671873
• PubChem CID: 11052755

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2744335
• LogD (pH = 7.4): 1.2744335
• Log P: 1.2744335
• Molar Refractivity: 39.6249 cm^3
• Polarizability: 16.420689 Å^3
• Polar Surface Area: 51.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.542

Product Information

• Purity: 95%