ChemSpider 2D Image | 2-(Methylsulfanyl)-4-(1,3-thiazol-5-ylethynyl)-1,3-thiazole | C9H6N2S3

2-(Methylsulfanyl)-4-(1,3-thiazol-5-ylethynyl)-1,3-thiazole

  • Molecular FormulaC9H6N2S3
  • Average mass238.352 Da
  • Monoisotopic mass237.969315 Da
  • ChemSpider ID92446221

More details:

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

2-(Methylsulfanyl)-4-(1,3-thiazol-5-ylethinyl)-1,3-thiazol [German] [ACD/IUPAC Name]
2-(Methylsulfanyl)-4-(1,3-thiazol-5-ylethynyl)-1,3-thiazole [ACD/IUPAC Name]
2-(Méthylsulfanyl)-4-(1,3-thiazol-5-yléthynyl)-1,3-thiazole [French] [ACD/IUPAC Name]
Thiazole, 2-(methylthio)-4-[2-(5-thiazolyl)ethynyl]- [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: 436.1±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 217.5±28.2 °C
Index of Refraction: 1.707
Molar Refractivity: 63.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.66
ACD/KOC (pH 5.5): 510.95
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.66
ACD/KOC (pH 7.4): 510.97
Polar Surface Area: 108 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 80.3±5.0 dyne/cm
Molar Volume: 162.5±5.0 cm3

Click to predict properties on the Chemicalize site


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