ChemSpider 2D Image | N-[(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide | C10H11N5OS

N-[(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide

  • Molecular FormulaC10H11N5OS
  • Average mass249.292 Da
  • Monoisotopic mass249.068436 Da
  • ChemSpider ID28634982

More details:

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

Benzamide, N-[(4-amino-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]- [ACD/Index Name]
N-[(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamid [German] [ACD/IUPAC Name]
N-[(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide [ACD/IUPAC Name]
N-[(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)méthyl]benzamide [French] [ACD/IUPAC Name]
849358-44-7 [RN]
AKOS016037638
MCULE-3363421106
MFCD26098349
MolPort-027-598-483
N-(4-Amino-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-benzamide
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    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: 1.747
    Molar Refractivity: 66.7±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.82
    ACD/LogD (pH 5.5): -0.56
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.75
    ACD/LogD (pH 7.4): -1.60
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 125 Å2
    Polarizability: 26.5±0.5 10-24cm3
    Surface Tension: 64.7±7.0 dyne/cm
    Molar Volume: 164.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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