ChemSpider 2D Image | 2-Cyano-2-propenethioamide | C4H4N2S

2-Cyano-2-propenethioamide

  • Molecular FormulaC4H4N2S
  • Average mass112.153 Da
  • Monoisotopic mass112.009521 Da
  • ChemSpider ID32974650

More details:

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

2-Cyan-2-propenthioamid [German] [ACD/IUPAC Name]
2-Cyano-2-propenethioamide [ACD/IUPAC Name]
2-Cyano-2-propènethioamide [French] [ACD/IUPAC Name]
2-Propenethioamide, 2-cyano- [ACD/Index Name]
2-cyanoprop-2-enethioamide
68029-64-1 [RN]
MFCD19213004

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

Density: 1.2±0.1 g/cm3
Boiling Point: 234.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.1±3.0 kJ/mol
Flash Point: 95.6±27.9 °C
Index of Refraction: 1.590
Molar Refractivity: 30.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.21
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 46.70
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.51
ACD/KOC (pH 7.4): 46.70
Polar Surface Area: 82 Å2
Polarizability: 12.2±0.5 10-24cm3
Surface Tension: 65.5±3.0 dyne/cm
Molar Volume: 91.5±3.0 cm3

Click to predict properties on the Chemicalize site


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