N-tert-butylsulfamoyl chloride

• ChemBase ID: 798972
• Molecular Formular: C4H10ClNO2S
• Molecular Mass: 171.6457
• Monoisotopic Mass: 171.01207725
• SMILES: O=S(=O)(NC(C)(C)C)Cl
• Canonical SMILES: CC(NS(=O)(=O)Cl)(C)C
• InChI: InChI=1S/C4H10ClNO2S/c1-4(2,3)6-9(5,7)8/h6H,1-3H3
• InChIKey: WGBSTIRRHNSMRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butylsulfamoyl chloride
• IUPAC Traditional name: N-tert-butylsulfamoyl chloride
• Synonyms: tert-butylsulfamoyl chloride

Database IDs

• CAS Number: 33581-95-2

CALCULATED PROPERTIES

• Acid pKa: 9.65326
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.626577
• LogD (pH = 7.4): 0.6244632
• Log P: 0.6266041
• Molar Refractivity: 37.5802 cm^3
• Polarizability: 15.433737 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%