Found 169 results

Search term: MF = 'C_{8}H_{6}BrNS_{2}'
ChemSpider 2D Image | 7-Bromo-2-(methylsulfanyl)-1,3-benzothiazole | C8H6BrNS2

7-Bromo-2-(methylsulfanyl)-1,3-benzothiazole

  • Molecular FormulaC8H6BrNS2
  • Average mass260.174 Da
  • Monoisotopic mass258.912506 Da
  • ChemSpider ID61121197

More details:

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

7-Brom-2-(methylsulfanyl)-1,3-benzothiazol [German] [ACD/IUPAC Name]
7-Bromo-2-(methylsulfanyl)-1,3-benzothiazole [ACD/IUPAC Name]
7-Bromo-2-(méthylsulfanyl)-1,3-benzothiazole [French] [ACD/IUPAC Name]
Benzothiazole, 7-bromo-2-(methylthio)- [ACD/Index Name]
1175278-22-4 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 358.5±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.0±3.0 kJ/mol
Flash Point: 170.6±25.7 °C
Index of Refraction: 1.738
Molar Refractivity: 60.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 278.48
ACD/KOC (pH 5.5): 1956.98
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 278.48
ACD/KOC (pH 7.4): 1956.99
Polar Surface Area: 66 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 150.5±5.0 cm3

Click to predict properties on the Chemicalize site


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