ChemSpider 2D Image | 4-(3-Isothiocyanato-1-propyn-1-yl)-2-(methylsulfanyl)-1,3-thiazole | C8H6N2S3

4-(3-Isothiocyanato-1-propyn-1-yl)-2-(methylsulfanyl)-1,3-thiazole

  • Molecular FormulaC8H6N2S3
  • Average mass226.342 Da
  • Monoisotopic mass225.969315 Da
  • ChemSpider ID95281830

More details:

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

4-(3-Isothiocyanato-1-propin-1-yl)-2-(methylsulfanyl)-1,3-thiazol [German] [ACD/IUPAC Name]
4-(3-Isothiocyanato-1-propyn-1-yl)-2-(methylsulfanyl)-1,3-thiazole [ACD/IUPAC Name]
4-(3-Isothiocyanato-1-propyn-1-yl)-2-(méthylsulfanyl)-1,3-thiazole [French] [ACD/IUPAC Name]
Thiazole, 4-(3-isothiocyanato-1-propyn-1-yl)-2-(methylthio)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 398.5±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.4±3.0 kJ/mol
Flash Point: 194.8±29.6 °C
Index of Refraction: 1.655
Molar Refractivity: 65.7±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 295.64
ACD/KOC (pH 5.5): 2042.56
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 295.64
ACD/KOC (pH 7.4): 2042.57
Polar Surface Area: 111 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 179.1±7.0 cm3

Click to predict properties on the Chemicalize site


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