ChemSpider 2D Image | 5-(Methylsulfanyl)-3-(1,2-thiazol-5-yl)-2-thiophenecarbonitrile | C9H6N2S3

5-(Methylsulfanyl)-3-(1,2-thiazol-5-yl)-2-thiophenecarbonitrile

  • Molecular FormulaC9H6N2S3
  • Average mass238.352 Da
  • Monoisotopic mass237.969315 Da
  • ChemSpider ID74565812

More details:

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

2-Thiophenecarbonitrile, 3-(5-isothiazolyl)-5-(methylthio)- [ACD/Index Name]
5-(Methylsulfanyl)-3-(1,2-thiazol-5-yl)-2-thiophencarbonitril [German] [ACD/IUPAC Name]
5-(Methylsulfanyl)-3-(1,2-thiazol-5-yl)-2-thiophenecarbonitrile [ACD/IUPAC Name]
5-(Méthylsulfanyl)-3-(1,2-thiazol-5-yl)-2-thiophènecarbonitrile [French] [ACD/IUPAC 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: 315.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.7±3.0 kJ/mol
Flash Point: 144.6±27.9 °C
Index of Refraction: 1.695
Molar Refractivity: 62.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 123.84
ACD/KOC (pH 5.5): 1095.53
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 123.88
ACD/KOC (pH 7.4): 1095.94
Polar Surface Area: 118 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 75.4±5.0 dyne/cm
Molar Volume: 163.3±5.0 cm3

Click to predict properties on the Chemicalize site


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