ChemSpider 2D Image | [(3-Isopropyl-1H-1,2,4-triazol-5-yl)sulfanyl]acetic acid | C7H11N3O2S

[(3-Isopropyl-1H-1,2,4-triazol-5-yl)sulfanyl]acetic acid

  • Molecular FormulaC7H11N3O2S
  • Average mass201.246 Da
  • Monoisotopic mass201.057190 Da
  • ChemSpider ID21468118

More details:

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

[(3-Isopropyl-1H-1,2,4-triazol-5-yl)sulfanyl]acetic acid [ACD/IUPAC Name]
[(3-Isopropyl-1H-1,2,4-triazol-5-yl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
2-[[3-(1-Methylethyl)-1H-1,2,4-triazol-5-yl]thio]acetic acid
2-{[5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
905810-51-7 [RN]
Acetic acid, 2-[[5-(1-methylethyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
Acide [(3-isopropyl-1H-1,2,4-triazol-5-yl)sulfanyl]acétique [French] [ACD/IUPAC Name]
(5-Isopropyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
[(5-isopropyl-4H-1,2,4-triazol-3-yl)thio]acetic acid
{[5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 443.2±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.9±3.0 kJ/mol
    Flash Point: 221.9±29.3 °C
    Index of Refraction: 1.584
    Molar Refractivity: 49.1±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.44
    ACD/LogD (pH 5.5): -1.96
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 19.4±0.5 10-24cm3
    Surface Tension: 72.1±5.0 dyne/cm
    Molar Volume: 146.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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