ChemSpider 2D Image | 1-(Methylsulfanyl)-2-nitroethane | C3H7NO2S

1-(Methylsulfanyl)-2-nitroethane

  • Molecular FormulaC3H7NO2S
  • Average mass121.158 Da
  • Monoisotopic mass121.019745 Da
  • ChemSpider ID61209543

More details:






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

1-(Methylsulfanyl)-2-nitroethan [German] [ACD/IUPAC Name]
1-(Methylsulfanyl)-2-nitroethane [ACD/IUPAC Name]
1-(Méthylsulfanyl)-2-nitroéthane [French] [ACD/IUPAC Name]
Ethane, 1-(methylthio)-2-nitro- [ACD/Index Name]
295365-76-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 209.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.6±3.0 kJ/mol
Flash Point: 80.4±22.6 °C
Index of Refraction: 1.484
Molar Refractivity: 30.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.10
ACD/KOC (pH 5.5): 95.54
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.46
ACD/KOC (pH 7.4): 80.69
Polar Surface Area: 71 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 104.8±3.0 cm3

Click to predict properties on the Chemicalize site






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