ChemSpider 2D Image | 3-Methyl-3-nitrothietane | C4H7NO2S

3-Methyl-3-nitrothietane

  • Molecular FormulaC4H7NO2S
  • Average mass133.169 Da
  • Monoisotopic mass133.019745 Da
  • ChemSpider ID24784635

More details:

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

3-Methyl-3-nitrothietan [German] [ACD/IUPAC Name]
3-Methyl-3-nitrothietane [ACD/IUPAC Name]
3-Méthyl-3-nitrothiétane [French] [ACD/IUPAC Name]
Thietane, 3-methyl-3-nitro- [ACD/Index Name]
[66810-29-5] [RN]
66810-29-5 [RN]
MFCD18325186 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 224.6±29.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.1±3.0 kJ/mol
Flash Point: 89.7±24.3 °C
Index of Refraction: 1.545
Molar Refractivity: 32.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.26
ACD/KOC (pH 5.5): 129.41
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.26
ACD/KOC (pH 7.4): 129.41
Polar Surface Area: 71 Å2
Polarizability: 12.9±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 103.0±5.0 cm3

Click to predict properties on the Chemicalize site


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