ChemSpider 2D Image | 1,3,4-Thiadiazol-2-ylacetonitrile | C4H3N3S

1,3,4-Thiadiazol-2-ylacetonitrile

  • Molecular FormulaC4H3N3S
  • Average mass125.152 Da
  • Monoisotopic mass125.004768 Da
  • ChemSpider ID44319698

More details:

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

1,3,4-Thiadiazol-2-ylacetonitril [German] [ACD/IUPAC Name]
1,3,4-Thiadiazol-2-ylacetonitrile [ACD/IUPAC Name]
1,3,4-Thiadiazol-2-ylacétonitrile [French] [ACD/IUPAC Name]
1,3,4-Thiadiazole-2-acetonitrile [ACD/Index Name]
809534-13-2 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 291.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.1±3.0 kJ/mol
Flash Point: 130.0±27.9 °C
Index of Refraction: 1.576
Molar Refractivity: 30.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.42
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.76
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.76
Polar Surface Area: 78 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 91.6±3.0 cm3

Click to predict properties on the Chemicalize site


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