ChemSpider 2D Image | N-[4-(Methylsulfanyl)-2-butanyl]-1-(5-nitro-3-thienyl)methanesulfonamide | C10H16N2O4S3

N-[4-(Methylsulfanyl)-2-butanyl]-1-(5-nitro-3-thienyl)methanesulfonamide

  • Molecular FormulaC10H16N2O4S3
  • Average mass324.440 Da
  • Monoisotopic mass324.027222 Da
  • ChemSpider ID67941570

More details:

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

3-Thiophenemethanesulfonamide, N-[1-methyl-3-(methylthio)propyl]-5-nitro- [ACD/Index Name]
N-[4-(Methylsulfanyl)-2-butanyl]-1-(5-nitro-3-thienyl)methanesulfonamide [ACD/IUPAC Name]
N-[4-(Méthylsulfanyl)-2-butanyl]-1-(5-nitro-3-thiényl)méthanesulfonamide [French] [ACD/IUPAC Name]
N-[4-(Methylsulfanyl)-2-butanyl]-1-(5-nitro-3-thienyl)methansulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 511.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.3±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 79.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.24
ACD/KOC (pH 5.5): 288.92
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.17
ACD/KOC (pH 7.4): 287.97
Polar Surface Area: 154 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 233.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement