ChemSpider 2D Image | N-(3-Chloro-4-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)propanamide | C12H10ClN5OS

N-(3-Chloro-4-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)propanamide

  • Molecular FormulaC12H10ClN5OS
  • Average mass307.759 Da
  • Monoisotopic mass307.029449 Da
  • ChemSpider ID22423508

More details:

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

N-(3-Chlor-4-cyanphenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)propanamid [German] [ACD/IUPAC Name]
N-(3-Chloro-4-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)propanamide [ACD/IUPAC Name]
N-(3-Chloro-4-cyanophényl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)propanamide [French] [ACD/IUPAC Name]
Propanamide, N-(3-chloro-4-cyanophenyl)-2-(4H-1,2,4-triazol-3-ylthio)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.664
Molar Refractivity: 76.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.29
ACD/KOC (pH 5.5): 256.39
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 14.79
ACD/KOC (pH 7.4): 232.81
Polar Surface Area: 120 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 83.0±5.0 dyne/cm
Molar Volume: 205.0±5.0 cm3

Click to predict properties on the Chemicalize site


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