ChemSpider 2D Image | O-Isopropyl (1,1-dioxido-2,3-dihydro-3-thiophenyl)carbamothioate | C8H13NO3S2

O-Isopropyl (1,1-dioxido-2,3-dihydro-3-thiophenyl)carbamothioate

  • Molecular FormulaC8H13NO3S2
  • Average mass235.324 Da
  • Monoisotopic mass235.033676 Da
  • ChemSpider ID23363912

More details:

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

(1,1-Dioxydo-2,3-dihydro-3-thiophényl)carbamothioate de O-isopropyle [French] [ACD/IUPAC Name]
Carbamothioic acid, N-(2,3-dihydro-1,1-dioxido-3-thienyl)-, O-(1-methylethyl) ester [ACD/Index Name]
O-Isopropyl (1,1-dioxido-2,3-dihydro-3-thiophenyl)carbamothioate [ACD/IUPAC Name]
O-Isopropyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamothioate
O-Isopropyl-(1,1-dioxido-2,3-dihydro-3-thiophenyl)carbamothioat [German] [ACD/IUPAC Name]
1049126-46-6 [RN]
MFCD13811942
O-isopropyl (1,1-dioxido-2,3-dihydro-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: 395.3±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.5±3.0 kJ/mol
    Flash Point: 192.9±30.7 °C
    Index of Refraction: 1.575
    Molar Refractivity: 58.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.42
    ACD/LogD (pH 5.5): 0.45
    ACD/BCF (pH 5.5): 1.28
    ACD/KOC (pH 5.5): 41.63
    ACD/LogD (pH 7.4): 0.45
    ACD/BCF (pH 7.4): 1.28
    ACD/KOC (pH 7.4): 41.63
    Polar Surface Area: 96 Å2
    Polarizability: 23.1±0.5 10-24cm3
    Surface Tension: 54.9±5.0 dyne/cm
    Molar Volume: 176.1±5.0 cm3

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