ChemSpider 2D Image | 2-Isocyanato-5-(methylsulfonyl)-1,3-thiazole | C5H4N2O3S2

2-Isocyanato-5-(methylsulfonyl)-1,3-thiazole

  • Molecular FormulaC5H4N2O3S2
  • Average mass204.227 Da
  • Monoisotopic mass203.966339 Da
  • ChemSpider ID61098749

More details:

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

2-Isocyanato-5-(methylsulfonyl)-1,3-thiazol [German] [ACD/IUPAC Name]
2-Isocyanato-5-(methylsulfonyl)-1,3-thiazole [ACD/IUPAC Name]
2-Isocyanato-5-(méthylsulfonyl)-1,3-thiazole [French] [ACD/IUPAC Name]
Thiazole, 2-isocyanato-5-(methylsulfonyl)- [ACD/Index Name]
64578-69-4 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 433.9±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 216.2±30.4 °C
Index of Refraction: 1.682
Molar Refractivity: 47.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.03
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.99
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.99
Polar Surface Area: 113 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 69.2±7.0 dyne/cm
Molar Volume: 125.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement