N-ethyl-N-methylsulfamoyl chloride

• ChemBase ID: 58216
• Molecular Formular: C3H8ClNO2S
• Molecular Mass: 157.61912
• Monoisotopic Mass: 156.99642718
• SMILES: S(=O)(=O)(N(CC)C)Cl
• Canonical SMILES: CCN(S(=O)(=O)Cl)C
• InChI: InChI=1S/C3H8ClNO2S/c1-3-5(2)8(4,6)7/h3H2,1-2H3
• InChIKey: ZSWXMTQLPYVTLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-methylsulfamoyl chloride
• IUPAC Traditional name: N-ethyl-N-methylsulfamoyl chloride
• Synonyms: Ethyl(methyl)sulfamoyl chloride; N-ethyl-N-methylsulfamoyl chloride

Database IDs

• CAS Number: 35856-61-2
• MDL Number: MFCD11622866
• PubChem SID: 162062979
• PubChem CID: 22637008

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.15312843
• LogD (pH = 7.4): 0.15312843
• Log P: 0.15312843
• Molar Refractivity: 33.4199 cm^3
• Polarizability: 13.62557 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.278

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%