ChemSpider 2D Image | 6-Bromo-4-(trifluoromethyl)benzo[d]thiazole-2-thiol | C8H3BrF3NS2

6-Bromo-4-(trifluoromethyl)benzo[d]thiazole-2-thiol

  • Molecular FormulaC8H3BrF3NS2
  • Average mass314.145 Da
  • Monoisotopic mass312.884216 Da
  • ChemSpider ID28294174

More details:

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

1215206-27-1 [RN]
2-Benzothiazolethiol, 6-bromo-4-(trifluoromethyl)- [ACD/Index Name]
6-Brom-4-(trifluormethyl)-1,3-benzothiazol-2(3H)-thion [German] [ACD/IUPAC Name]
6-Bromo-4-(trifluorométhyl)-1,3-benzothiazole-2(3H)-thione [French] [ACD/IUPAC Name]
6-Bromo-4-(trifluoromethyl)-1,3-benzothiazole-2-thiol [ACD/IUPAC Name]
6-Bromo-4-(trifluoromethyl)benzo[d]thiazole-2-thiol
[1215206-27-1] [RN]
6-bromo-2-mercapto-4-(trifluoromethyl)benzothiazole
6-bromo-4-(trifluoromethyl)-3H-1,3-benzothiazole-2-thione
98%
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.9±0.1 g/cm3
    Boiling Point: 326.1±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 54.6±3.0 kJ/mol
    Flash Point: 151.0±30.7 °C
    Index of Refraction: 1.649
    Molar Refractivity: 61.4±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.45
    ACD/LogD (pH 5.5): 1.33
    ACD/BCF (pH 5.5): 1.62
    ACD/KOC (pH 5.5): 10.43
    ACD/LogD (pH 7.4): 0.57
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.84
    Polar Surface Area: 80 Å2
    Polarizability: 24.3±0.5 10-24cm3
    Surface Tension: 48.4±3.0 dyne/cm
    Molar Volume: 168.6±3.0 cm3

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