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

O-Methyl (3-methyl-1,1-dioxidotetrahydro-3-thiophenyl)carbamothioate

  • Molecular FormulaC7H13NO3S2
  • Average mass223.313 Da
  • Monoisotopic mass223.033676 Da
  • ChemSpider ID23363897

More details:

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

(3-Méthyl-1,1-dioxydotétrahydro-3-thiophényl)carbamothioate de O-méthyle [French] [ACD/IUPAC Name]
Carbamothioic acid, N-(tetrahydro-3-methyl-1,1-dioxido-3-thienyl)-, O-methyl ester [ACD/Index Name]
O-Methyl (3-methyl-1,1-dioxidotetrahydro-3-thiophenyl)carbamothioate [ACD/IUPAC Name]
O-Methyl (3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)carbamothioate
O-Methyl-(3-methyl-1,1-dioxidotetrahydro-3-thiophenyl)carbamothioat [German] [ACD/IUPAC Name]
1049126-20-6 [RN]
MFCD13273477
O-methyl (3-methyl-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: 370.4±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.7±3.0 kJ/mol
    Flash Point: 177.8±30.7 °C
    Index of Refraction: 1.563
    Molar Refractivity: 53.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.25
    ACD/LogD (pH 5.5): -0.01
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 23.48
    ACD/LogD (pH 7.4): -0.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 23.48
    Polar Surface Area: 96 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 55.5±5.0 dyne/cm
    Molar Volume: 165.6±5.0 cm3

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