ChemSpider 2D Image | 1-(1H-1,2,4-Triazol-3-ylsulfonyl)acetone | C5H7N3O3S

1-(1H-1,2,4-Triazol-3-ylsulfonyl)acetone

  • Molecular FormulaC5H7N3O3S
  • Average mass189.192 Da
  • Monoisotopic mass189.020813 Da
  • ChemSpider ID21862142

More details:

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

1-(1H-1,2,4-Triazol-3-ylsulfonyl)aceton [German] [ACD/IUPAC Name]
1-(1H-1,2,4-Triazol-3-ylsulfonyl)acetone [ACD/IUPAC Name]
1-(1H-1,2,4-Triazol-3-ylsulfonyl)acétone [French] [ACD/IUPAC Name]
2-Propanone, 1-(1H-1,2,4-triazol-3-ylsulfonyl)- [ACD/Index Name]
1-(1H-[1,2,4]Triazole-3-sulfonyl)-propan-2-one
1-(1H-1,2,4-triazol-3-ylsulfonyl)propan-2-one
1-(1H-1,2,4-triazol-5-ylsulfonyl)propan-2-one
1071348-63-4 [RN]
AGN-PC-050LNK
AKOS005443510
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: 438.2±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.5±3.0 kJ/mol
    Flash Point: 218.8±29.3 °C
    Index of Refraction: 1.532
    Molar Refractivity: 39.1±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -1.57
    ACD/LogD (pH 5.5): -0.82
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.42
    ACD/LogD (pH 7.4): -1.23
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.30
    Polar Surface Area: 101 Å2
    Polarizability: 15.5±0.5 10-24cm3
    Surface Tension: 67.2±3.0 dyne/cm
    Molar Volume: 126.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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