ChemSpider 2D Image | 4-Isobutoxy-1,3-benzenedicarbothioamide | C12H16N2OS2

4-Isobutoxy-1,3-benzenedicarbothioamide

  • Molecular FormulaC12H16N2OS2
  • Average mass268.398 Da
  • Monoisotopic mass268.070404 Da
  • ChemSpider ID58794461

More details:

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

1,3-Benzenedicarbothioamide, 4-(2-methylpropoxy)- [ACD/Index Name]
1330632-46-6 [RN]
4-(2-methylpropoxy)-1,3-benzenedicarbothioamide
4-Isobutoxy-1,3-benzenedicarbothioamide [ACD/IUPAC Name]
4-Isobutoxy-1,3-benzènedicarbothioamide [French] [ACD/IUPAC Name]
4-Isobutoxy-1,3-benzoldicarbothioamid [German] [ACD/IUPAC Name]
4-(2-methylpropoxy)benzene-1,3-dicarbothioamide
CFI-400945
MFCD29039591

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 451.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.0±3.0 kJ/mol
    Flash Point: 226.7±31.5 °C
    Index of Refraction: 1.652
    Molar Refractivity: 79.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.40
    ACD/LogD (pH 5.5): 2.17
    ACD/BCF (pH 5.5): 26.14
    ACD/KOC (pH 5.5): 359.81
    ACD/LogD (pH 7.4): 2.17
    ACD/BCF (pH 7.4): 26.14
    ACD/KOC (pH 7.4): 359.83
    Polar Surface Area: 125 Å2
    Polarizability: 31.4±0.5 10-24cm3
    Surface Tension: 64.1±3.0 dyne/cm
    Molar Volume: 216.5±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement