ChemSpider 2D Image | 2,4,5-Trimethylbenzothiazole | C10H11NS

2,4,5-Trimethylbenzothiazole

  • Molecular FormulaC10H11NS
  • Average mass177.266 Da
  • Monoisotopic mass177.061218 Da
  • ChemSpider ID24181862

More details:

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

2,4,5-Trimethyl-1,3-benzothiazol [German] [ACD/IUPAC Name]
2,4,5-Trimethyl-1,3-benzothiazole [ACD/IUPAC Name]
2,4,5-Triméthyl-1,3-benzothiazole [French] [ACD/IUPAC Name]
2,4,5-Trimethylbenzo[d]thiazole
2,4,5-Trimethylbenzothiazole
401936-07-0 [RN]
benzothiazole, 2,4,5-trimethyl- [ACD/Index Name]
2,4,5-Trimethyl benzothiazole
2,4,5-Trimethyl-Benzothiazole
2,4,5-Trimethylbenzothiazole (en)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 284.1±9.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 50.2±3.0 kJ/mol
    Flash Point: 126.9±7.6 °C
    Index of Refraction: 1.628
    Molar Refractivity: 55.0±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.33
    ACD/LogD (pH 5.5): 3.83
    ACD/BCF (pH 5.5): 475.66
    ACD/KOC (pH 5.5): 2869.89
    ACD/LogD (pH 7.4): 3.83
    ACD/BCF (pH 7.4): 476.20
    ACD/KOC (pH 7.4): 2873.20
    Polar Surface Area: 41 Å2
    Polarizability: 21.8±0.5 10-24cm3
    Surface Tension: 44.9±3.0 dyne/cm
    Molar Volume: 155.1±3.0 cm3

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