ChemSpider 2D Image | 5-[(2-Chlorobenzyl)sulfanyl]-4-isopropyl-N,N-dimethyl-4H-1,2,4-triazol-3-amine | C14H19ClN4S

5-[(2-Chlorobenzyl)sulfanyl]-4-isopropyl-N,N-dimethyl-4H-1,2,4-triazol-3-amine

  • Molecular FormulaC14H19ClN4S
  • Average mass310.845 Da
  • Monoisotopic mass310.101898 Da
  • ChemSpider ID31830901

More details:

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

4H-1,2,4-Triazol-3-amine, 5-[[(2-chlorophenyl)methyl]thio]-N,N-dimethyl-4-(1-methylethyl)- [ACD/Index Name]
5-[(2-Chlorbenzyl)sulfanyl]-4-isopropyl-N,N-dimethyl-4H-1,2,4-triazol-3-amin [German] [ACD/IUPAC Name]
5-[(2-Chlorobenzyl)sulfanyl]-4-isopropyl-N,N-dimethyl-4H-1,2,4-triazol-3-amine [ACD/IUPAC Name]
5-[(2-Chlorobenzyl)sulfanyl]-4-isopropyl-N,N-diméthyl-4H-1,2,4-triazol-3-amine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 456.1±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 229.7±29.3 °C
Index of Refraction: 1.611
Molar Refractivity: 87.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 683.83
ACD/KOC (pH 5.5): 3709.46
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 692.34
ACD/KOC (pH 7.4): 3755.64
Polar Surface Area: 59 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 252.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement