ChemSpider 2D Image | 1-[(1,1-Dioxidotetrahydro-3-thiophenyl)methyl]-3-formylthiourea | C7H12N2O3S2

1-[(1,1-Dioxidotetrahydro-3-thiophenyl)methyl]-3-formylthiourea

  • Molecular FormulaC7H12N2O3S2
  • Average mass236.312 Da
  • Monoisotopic mass236.028931 Da
  • ChemSpider ID35514009

More details:

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

1-[(1,1-Dioxidotetrahydro-3-thiophenyl)methyl]-3-formylthioharnstoff [German] [ACD/IUPAC Name]
1-[(1,1-Dioxidotetrahydro-3-thiophenyl)methyl]-3-formylthiourea [ACD/IUPAC Name]
1-[(1,1-Dioxydotétrahydro-3-thiophényl)méthyl]-3-formylthiourée [French] [ACD/IUPAC Name]
Thiourea, N-formyl-N'-[(tetrahydro-1,1-dioxido-3-thienyl)methyl]- [ACD/Index Name]
1934962-14-7 [RN]
MFCD28398541
N-[(1,1-dioxidotetrahydro-3-thienyl)methyl]-N'-formylthiourea
N-[(1,1-dioxothiolan-3-yl)methylcarbamothioyl]formamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 453.6±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.3±3.0 kJ/mol
    Flash Point: 228.2±26.5 °C
    Index of Refraction: 1.575
    Molar Refractivity: 56.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -1.53
    ACD/LogD (pH 5.5): -1.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.32
    ACD/LogD (pH 7.4): -1.20
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.30
    Polar Surface Area: 116 Å2
    Polarizability: 22.2±0.5 10-24cm3
    Surface Tension: 58.4±3.0 dyne/cm
    Molar Volume: 169.3±3.0 cm3

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