ChemSpider 2D Image | 4-Ethyl-2-(methylsulfanyl)-1,3-thiazole | C6H9NS2

4-Ethyl-2-(methylsulfanyl)-1,3-thiazole

  • Molecular FormulaC6H9NS2
  • Average mass159.272 Da
  • Monoisotopic mass159.017639 Da
  • ChemSpider ID19173598

More details:






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

4-Ethyl-2-(methylsulfanyl)-1,3-thiazol [German] [ACD/IUPAC Name]
4-Ethyl-2-(methylsulfanyl)-1,3-thiazole [ACD/IUPAC Name]
4-Éthyl-2-(méthylsulfanyl)-1,3-thiazole [French] [ACD/IUPAC Name]
Thiazole, 4-ethyl-2-(methylthio)- [ACD/Index Name]
4-ethyl-2-(methylthio)thiazole
4-ethyl-2-methylsulfanylthiazole
4-ethyl-2-methylsulfanyl-thiazole
83893-89-4 [RN]
MFCD28163197
THIAZOLE,4-ETHYL-2-(METHYLTHIO)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 248.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.6±3.0 kJ/mol
Flash Point: 103.9±25.4 °C
Index of Refraction: 1.571
Molar Refractivity: 44.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.39
ACD/KOC (pH 5.5): 516.84
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.51
ACD/KOC (pH 7.4): 518.22
Polar Surface Area: 66 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 135.7±5.0 cm3

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