ChemSpider 2D Image | {[4-(2-Thienyl)-1,3-thiazol-2-yl]sulfanyl}acetonitrile | C9H6N2S3

{[4-(2-Thienyl)-1,3-thiazol-2-yl]sulfanyl}acetonitrile

  • Molecular FormulaC9H6N2S3
  • Average mass238.352 Da
  • Monoisotopic mass237.969315 Da
  • ChemSpider ID117335460

More details:

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

{[4-(2-Thienyl)-1,3-thiazol-2-yl]sulfanyl}acetonitril [German] [ACD/IUPAC Name]
{[4-(2-Thienyl)-1,3-thiazol-2-yl]sulfanyl}acetonitrile [ACD/IUPAC Name]
{[4-(2-Thiényl)-1,3-thiazol-2-yl]sulfanyl}acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-[[4-(2-thienyl)-2-thiazolyl]thio]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 430.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 214.1±31.5 °C
Index of Refraction: 1.692
Molar Refractivity: 62.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.25
ACD/KOC (pH 5.5): 630.70
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.25
ACD/KOC (pH 7.4): 630.70
Polar Surface Area: 118 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 75.6±5.0 dyne/cm
Molar Volume: 163.7±5.0 cm3

Click to predict properties on the Chemicalize site


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