ChemSpider 2D Image | 3-(Chloromethyl)-5-(2-thienyl)-1H-1,2,4-triazole | C7H6ClN3S

3-(Chloromethyl)-5-(2-thienyl)-1H-1,2,4-triazole

  • Molecular FormulaC7H6ClN3S
  • Average mass199.661 Da
  • Monoisotopic mass198.997101 Da
  • ChemSpider ID28547201

More details:

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

1394041-97-4 [RN]
1H-1,2,4-Triazole, 5-(chloromethyl)-3-(2-thienyl)- [ACD/Index Name]
3-(Chlormethyl)-5-(2-thienyl)-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-(Chloromethyl)-5-(2-thienyl)-1H-1,2,4-triazole [ACD/IUPAC Name]
3-(Chlorométhyl)-5-(2-thiényl)-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
5-(chloromethyl)-3-(thiophen-2-yl)-1H-1,2,4-triazole
3-(chloromethyl)-5-(2-thienyl)-4H-1,2,4-triazole
3-Chloromethyl-5-thiophen-2-yl-1H-[1,2,4]triazole
4H-1,2,4-triazole, 3-(chloromethyl)-5-(2-thienyl)-
5-(chloromethyl)-3-thiophen-2-yl-1H-1,2,4-triazole
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 407.4±51.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 65.9±3.0 kJ/mol
    Flash Point: 200.2±30.4 °C
    Index of Refraction: 1.646
    Molar Refractivity: 49.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.55
    ACD/LogD (pH 5.5): 1.97
    ACD/BCF (pH 5.5): 18.56
    ACD/KOC (pH 5.5): 281.53
    ACD/LogD (pH 7.4): 1.96
    ACD/BCF (pH 7.4): 18.10
    ACD/KOC (pH 7.4): 274.70
    Polar Surface Area: 70 Å2
    Polarizability: 19.7±0.5 10-24cm3
    Surface Tension: 64.3±3.0 dyne/cm
    Molar Volume: 136.7±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement