ChemSpider 2D Image | 5-Chloro-4-ethyl-4H-1,2,4-triazole-3-thiol | C4H6ClN3S

5-Chloro-4-ethyl-4H-1,2,4-triazole-3-thiol

  • Molecular FormulaC4H6ClN3S
  • Average mass163.628 Da
  • Monoisotopic mass162.997101 Da
  • ChemSpider ID32989066

More details:

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

4H-1,2,4-Triazole-3-thiol, 5-chloro-4-ethyl- [ACD/Index Name]
5-Chlor-4-ethyl-4H-1,2,4-triazol-3-thiol [German] [ACD/IUPAC Name]
5-Chloro-4-ethyl-4H-1,2,4-triazole-3-thiol [ACD/IUPAC Name]
5-Chloro-4-éthyl-4H-1,2,4-triazole-3-thiol [French] [ACD/IUPAC Name]
1019031-13-0 [RN]
MFCD09995757

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

Density: 1.6±0.1 g/cm3
Boiling Point: 299.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.9±3.0 kJ/mol
Flash Point: 134.9±22.6 °C
Index of Refraction: 1.688
Molar Refractivity: 40.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.65
ACD/KOC (pH 5.5): 30.35
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 105.5±7.0 cm3

Click to predict properties on the Chemicalize site


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