ChemSpider 2D Image | 3-(1,3-Thiazol-4-yl)-1,2,4-thiadiazole-5-carbonitrile | C6H2N4S2

3-(1,3-Thiazol-4-yl)-1,2,4-thiadiazole-5-carbonitrile

  • Molecular FormulaC6H2N4S2
  • Average mass194.237 Da
  • Monoisotopic mass193.972092 Da
  • ChemSpider ID74679638

More details:

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

1,2,4-Thiadiazole-5-carbonitrile, 3-(4-thiazolyl)- [ACD/Index Name]
3-(1,3-Thiazol-4-yl)-1,2,4-thiadiazol-5-carbonitril [German] [ACD/IUPAC Name]
3-(1,3-Thiazol-4-yl)-1,2,4-thiadiazole-5-carbonitrile [ACD/IUPAC Name]
3-(1,3-Thiazol-4-yl)-1,2,4-thiadiazole-5-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 399.4±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.4±25.7 °C
Index of Refraction: 1.694
Molar Refractivity: 45.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.32
ACD/KOC (pH 5.5): 99.13
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.32
ACD/KOC (pH 7.4): 99.13
Polar Surface Area: 119 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 105.5±5.0 dyne/cm
Molar Volume: 119.0±5.0 cm3

Click to predict properties on the Chemicalize site


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