ChemSpider 2D Image | Methyl {[5-amino-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate | C18H18N4O2S

Methyl {[5-amino-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

  • Molecular FormulaC18H18N4O2S
  • Average mass354.426 Da
  • Monoisotopic mass354.115051 Da
  • ChemSpider ID34983200

More details:

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

{[5-Amino-4-(4-cyclopropyl-1-naphtyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétate de méthyle [French] [ACD/IUPAC Name]
878671-98-8 [RN]
Acetic acid, 2-[[5-amino-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]-, methyl ester [ACD/Index Name]
Methyl {[5-amino-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate [ACD/IUPAC Name]
Methyl 2-((5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetate
Methyl-{[5-amino-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetat [German] [ACD/IUPAC Name]
DS-19192
methyl 2-((4-(4-cyclopropylnaphthalen-1-yl)-5-imino-4,5-dihydro-1H-1,2,4-triazol-3-yl)thio)acetate
methyl 2-(5-amino-4-(1-cyclopropylnaphthalen-4-yl)-4H-1,2,4-triazol-3-ylthio)acetate
Methyl 2-(5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetate
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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: 598.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.1±3.0 kJ/mol
    Flash Point: 315.6±32.9 °C
    Index of Refraction: 1.733
    Molar Refractivity: 97.2±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.73
    ACD/LogD (pH 5.5): 3.92
    ACD/BCF (pH 5.5): 563.16
    ACD/KOC (pH 5.5): 3238.94
    ACD/LogD (pH 7.4): 3.92
    ACD/BCF (pH 7.4): 563.63
    ACD/KOC (pH 7.4): 3241.64
    Polar Surface Area: 108 Å2
    Polarizability: 38.5±0.5 10-24cm3
    Surface Tension: 60.9±7.0 dyne/cm
    Molar Volume: 242.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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