ChemSpider 2D Image | 3-Methyl-7-nitro[1]benzothieno[2,3-d][1,2]thiazole | C10H6N2O2S2

3-Methyl-7-nitro[1]benzothieno[2,3-d][1,2]thiazole

  • Molecular FormulaC10H6N2O2S2
  • Average mass250.297 Da
  • Monoisotopic mass249.987061 Da
  • ChemSpider ID23926554

More details:

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

[1]Benzothieno[2,3-d]isothiazole, 3-methyl-7-nitro- [ACD/Index Name]
3-Methyl-7-nitro[1]benzothieno[2,3-d][1,2]thiazol [German] [ACD/IUPAC Name]
3-Methyl-7-nitro[1]benzothieno[2,3-d][1,2]thiazole [ACD/IUPAC Name]
3-Méthyl-7-nitro[1]benzothiéno[2,3-d][1,2]thiazole [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 364.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.6±3.0 kJ/mol
Flash Point: 174.0±27.9 °C
Index of Refraction: 1.810
Molar Refractivity: 68.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 339.90
ACD/KOC (pH 5.5): 2253.08
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 342.00
ACD/KOC (pH 7.4): 2267.00
Polar Surface Area: 115 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 77.4±3.0 dyne/cm
Molar Volume: 158.0±3.0 cm3

Click to predict properties on the Chemicalize site


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