ChemSpider 2D Image | 5-Amino-3-thioxo-3H-1,2-dithiole-4-carbothioamide | C4H4N2S4

5-Amino-3-thioxo-3H-1,2-dithiole-4-carbothioamide

  • Molecular FormulaC4H4N2S4
  • Average mass208.348 Da
  • Monoisotopic mass207.925735 Da
  • ChemSpider ID60816008

More details:

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

3H-1,2-Dithiole-4-carbothioamide, 5-amino-3-thioxo- [ACD/Index Name]
5-Amino-3-thioxo-3H-1,2-dithiol-4-carbothioamid [German] [ACD/IUPAC Name]
5-Amino-3-thioxo-3H-1,2-dithiole-4-carbothioamide [ACD/IUPAC Name]
5-Amino-3-thioxo-3H-1,2-dithiole-4-carbothioamide [French] [ACD/IUPAC Name]
130089-95-1 [RN]
MFCD24625893

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

Density: 1.8±0.1 g/cm3
Boiling Point: 337.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.1±3.0 kJ/mol
Flash Point: 157.9±30.7 °C
Index of Refraction: 1.939
Molar Refractivity: 55.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.54
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.78
ACD/KOC (pH 5.5): 52.56
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.78
ACD/KOC (pH 7.4): 52.57
Polar Surface Area: 167 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 139.9±5.0 dyne/cm
Molar Volume: 115.8±5.0 cm3

Click to predict properties on the Chemicalize site


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