ChemSpider 2D Image | 1-Formyl-3-(3-methyl-1,1-dioxidotetrahydro-3-thiophenyl)thiourea | C7H12N2O3S2

1-Formyl-3-(3-methyl-1,1-dioxidotetrahydro-3-thiophenyl)thiourea

  • Molecular FormulaC7H12N2O3S2
  • Average mass236.312 Da
  • Monoisotopic mass236.028931 Da
  • ChemSpider ID35514008

More details:

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

1-Formyl-3-(3-methyl-1,1-dioxidotetrahydro-3-thiophenyl)thioharnstoff [German] [ACD/IUPAC Name]
1-Formyl-3-(3-methyl-1,1-dioxidotetrahydro-3-thiophenyl)thiourea [ACD/IUPAC Name]
1-Formyl-3-(3-méthyl-1,1-dioxydotétrahydro-3-thiophényl)thiourée [French] [ACD/IUPAC Name]
Thiourea, N-formyl-N'-(tetrahydro-3-methyl-1,1-dioxido-3-thienyl)- [ACD/Index Name]
1936202-95-7 [RN]
MFCD28398540
N-[(3-methyl-1,1-dioxothiolan-3-yl)carbamothioyl]formamide
N-formyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)thiourea

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 433.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.0±3.0 kJ/mol
    Flash Point: 216.1±31.5 °C
    Index of Refraction: 1.597
    Molar Refractivity: 56.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -1.13
    ACD/LogD (pH 5.5): -0.91
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.63
    ACD/LogD (pH 7.4): -0.91
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 7.57
    Polar Surface Area: 116 Å2
    Polarizability: 22.2±0.5 10-24cm3
    Surface Tension: 66.3±5.0 dyne/cm
    Molar Volume: 164.3±5.0 cm3

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