ChemSpider 2D Image | 3-(4-Chlorophenyl)-4H-thieno[3,2-b][1,4]thiazine-2-carbonitrile 1,1-dioxide | C13H7ClN2O2S2

3-(4-Chlorophenyl)-4H-thieno[3,2-b][1,4]thiazine-2-carbonitrile 1,1-dioxide

  • Molecular FormulaC13H7ClN2O2S2
  • Average mass322.790 Da
  • Monoisotopic mass321.963745 Da
  • ChemSpider ID82976947

More details:

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

1,1-Dioxyde de 3-(4-chlorophényl)-4H-thiéno[3,2-b][1,4]thiazine-2-carbonitrile [French] [ACD/IUPAC Name]
3-(4-Chlorophenyl)-4H-thieno[3,2-b][1,4]thiazine-2-carbonitrile 1,1-dioxide [ACD/IUPAC Name]
3-(4-Chlorphenyl)-4H-thieno[3,2-b][1,4]thiazin-2-carbonitril-1,1-dioxid [German] [ACD/IUPAC Name]
4H-Thieno[3,2-b]-1,4-thiazine-2-carbonitrile, 3-(4-chlorophenyl)-, 1,1-dioxide [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 518.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.5±30.1 °C
Index of Refraction: 1.731
Molar Refractivity: 78.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 212.51
ACD/KOC (pH 5.5): 1612.68
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 212.51
ACD/KOC (pH 7.4): 1612.68
Polar Surface Area: 107 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 80.6±5.0 dyne/cm
Molar Volume: 195.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement