ChemSpider 2D Image | 2-Cyano-3,3-disulfanyl-2-propenethioamide | C4H4N2S3

2-Cyano-3,3-disulfanyl-2-propenethioamide

  • Molecular FormulaC4H4N2S3
  • Average mass176.283 Da
  • Monoisotopic mass175.953659 Da
  • ChemSpider ID61306334

More details:

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

2-Cyan-3,3-disulfanyl-2-propenthioamid [German] [ACD/IUPAC Name]
2-Cyano-3,3-disulfanyl-2-propenethioamide [ACD/IUPAC Name]
2-Cyano-3,3-disulfanyl-2-propènethioamide [French] [ACD/IUPAC Name]
2-Propenethioamide, 2-cyano-3,3-dimercapto- [ACD/Index Name]
802307-25-1 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 277.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.6±3.0 kJ/mol
Flash Point: 121.6±30.1 °C
Index of Refraction: 1.726
Molar Refractivity: 46.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 85.4±3.0 dyne/cm
Molar Volume: 117.9±3.0 cm3

Click to predict properties on the Chemicalize site


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