ChemSpider 2D Image | 3-(2-Chloroethyl)-1-[2-(methylsulfonyl)ethyl]-1-nitrosourea | C6H12ClN3O4S

3-(2-Chloroethyl)-1-[2-(methylsulfonyl)ethyl]-1-nitrosourea

  • Molecular FormulaC6H12ClN3O4S
  • Average mass257.695 Da
  • Monoisotopic mass257.023712 Da
  • ChemSpider ID23124562

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-(2-Chlorethyl)-1-[2-(methylsulfonyl)ethyl]-1-nitrosoharnstoff [German] [ACD/IUPAC Name]
3-(2-Chloroethyl)-1-[2-(methylsulfonyl)ethyl]-1-nitrosourea [ACD/IUPAC Name]
3-(2-Chloroéthyl)-1-[2-(méthylsulfonyl)éthyl]-1-nitrosourée [French] [ACD/IUPAC Name]
Urea, N'-(2-chloroethyl)-N-[2-(methylsulfonyl)ethyl]-N-nitroso- [ACD/Index Name]
3-(2-chloroethyl)-1-(2-methanesulfonylethyl)-1-nitrosourea
Analogs of Cysteamine (2-Chloroethyl)nitrosoureas

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.563
Molar Refractivity: 56.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.15
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.12
Polar Surface Area: 104 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 172.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement