ChemSpider 2D Image | O-Ethyl (1,1-dioxidotetrahydro-3-thiophenyl)carbamothioate | C7H13NO3S2

O-Ethyl (1,1-dioxidotetrahydro-3-thiophenyl)carbamothioate

  • Molecular FormulaC7H13NO3S2
  • Average mass223.313 Da
  • Monoisotopic mass223.033676 Da
  • ChemSpider ID23363901

More details:

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

(1,1-Dioxydotétrahydro-3-thiophényl)carbamothioate de O-éthyle [French] [ACD/IUPAC Name]
Carbamothioic acid, N-(tetrahydro-1,1-dioxido-3-thienyl)-, O-ethyl ester [ACD/Index Name]
O-Ethyl (1,1-dioxidotetrahydro-3-thiophenyl)carbamothioate [ACD/IUPAC Name]
O-Ethyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamothioate
O-Ethyl-(1,1-dioxidotetrahydro-3-thiophenyl)carbamothioat [German] [ACD/IUPAC Name]
1049126-28-4 [RN]
MFCD13811936
O-ethyl (1,1-dioxidotetrahydro-3-thienyl)thiocarbamate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 387.2±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.6±3.0 kJ/mol
    Flash Point: 188.0±30.7 °C
    Index of Refraction: 1.561
    Molar Refractivity: 53.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.26
    ACD/LogD (pH 5.5): -0.01
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 23.44
    ACD/LogD (pH 7.4): -0.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 23.44
    Polar Surface Area: 96 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 56.1±5.0 dyne/cm
    Molar Volume: 165.8±5.0 cm3

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