ChemSpider 2D Image | O-Ethyl (3-methylphenyl)carbamothioate | C10H13NOS

O-Ethyl (3-methylphenyl)carbamothioate

  • Molecular FormulaC10H13NOS
  • Average mass195.281 Da
  • Monoisotopic mass195.071777 Da
  • ChemSpider ID30208880

More details:

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

(3-Méthylphényl)carbamothioate de O-éthyle [French] [ACD/IUPAC Name]
Carbamothioic acid, N-(3-methylphenyl)-, O-ethyl ester [ACD/Index Name]
O-Ethyl (3-methylphenyl)carbamothioate [ACD/IUPAC Name]
O-Ethyl-(3-methylphenyl)carbamothioat [German] [ACD/IUPAC Name]
80689-42-5 [RN]
MFCD24550518
O-ethyl 3-methylphenylthiocarbamate
O-ethyl m-tolylcarbamothioate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 263.7±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.2±3.0 kJ/mol
    Flash Point: 113.3±25.4 °C
    Index of Refraction: 1.613
    Molar Refractivity: 59.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.07
    ACD/LogD (pH 5.5): 2.63
    ACD/BCF (pH 5.5): 59.26
    ACD/KOC (pH 5.5): 646.52
    ACD/LogD (pH 7.4): 2.63
    ACD/BCF (pH 7.4): 59.26
    ACD/KOC (pH 7.4): 646.50
    Polar Surface Area: 53 Å2
    Polarizability: 23.4±0.5 10-24cm3
    Surface Tension: 49.5±3.0 dyne/cm
    Molar Volume: 169.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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