ChemSpider 2D Image | (4,5,6,7-~2~H_4_)-1,3-Benzothiazole-2(3H)-thione | C7HD4NS2

(4,5,6,7-2H4)-1,3-Benzothiazole-2(3H)-thione

  • Molecular FormulaC7HD4NS2
  • Average mass171.276 Da
  • Monoisotopic mass171.011444 Da
  • ChemSpider ID48059029
  • Non-standard isotope - Non-standard isotope


More details:






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

(4,5,6,7-2H4)-1,3-Benzothiazol-2(3H)-thion [German] [ACD/IUPAC Name]
(4,5,6,7-2H4)-1,3-Benzothiazole-2(3H)-thione [ACD/IUPAC Name]
(4,5,6,7-2H4)-1,3-Benzothiazole-2(3H)-thione [French] [ACD/IUPAC Name]
2(3H)-Benzothiazolethione-4,5,6,7-d4 [ACD/Index Name]
1346598-64-8 [RN]
2-benzothiazolethiol-d4
4,5,6,7-tetradeuterio-3H-1,3-benzothiazole-2-thione

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 305.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.5±3.0 kJ/mol
Flash Point: 138.3±23.2 °C
Index of Refraction: 1.784
Molar Refractivity: 48.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.46
ACD/KOC (pH 5.5): 382.46
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.35
ACD/KOC (pH 7.4): 380.98
Polar Surface Area: 69 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 78.1±5.0 dyne/cm
Molar Volume: 114.3±5.0 cm3

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