ChemSpider 2D Image | Methyl N-1,3-thiazol-2-ylcarbamimidothioate | C5H7N3S2

Methyl N-1,3-thiazol-2-ylcarbamimidothioate

  • Molecular FormulaC5H7N3S2
  • Average mass173.259 Da
  • Monoisotopic mass173.008133 Da
  • ChemSpider ID61298839

More details:

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

Carbamimidothioic acid, N-2-thiazolyl-, methyl ester [ACD/Index Name]
Methyl N-1,3-thiazol-2-ylcarbamimidothioate [ACD/IUPAC Name]
Methyl-N-1,3-thiazol-2-ylcarbamimidothioat [German] [ACD/IUPAC Name]
N-1,3-Thiazol-2-ylcarbamimidothioate de méthyle [French] [ACD/IUPAC Name]
211761-79-4 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 264.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.2±3.0 kJ/mol
Flash Point: 113.5±22.6 °C
Index of Refraction: 1.712
Molar Refractivity: 46.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.89
ACD/KOC (pH 5.5): 90.41
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.14
ACD/KOC (pH 7.4): 96.18
Polar Surface Area: 102 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 118.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement