ChemSpider 2D Image | 9-Chloro-2-ethyl[1]benzothieno[3,2-d]pyrimidine-4(1H)-thione | C12H9ClN2S2

9-Chloro-2-ethyl[1]benzothieno[3,2-d]pyrimidine-4(1H)-thione

  • Molecular FormulaC12H9ClN2S2
  • Average mass280.796 Da
  • Monoisotopic mass279.989563 Da
  • ChemSpider ID27452263

More details:

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

[1]Benzothieno[3,2-d]pyrimidine-4-thiol, 9-chloro-2-ethyl- [ACD/Index Name]
9-Chlor-2-ethyl[1]benzothieno[3,2-d]pyrimidin-4(1H)-thion [German] [ACD/IUPAC Name]
9-Chloro-2-ethyl[1]benzothieno[3,2-d]pyrimidine-4(1H)-thione [ACD/IUPAC Name]
9-Chloro-2-éthyl[1]benzothiéno[3,2-d]pyrimidine-4(1H)-thione [French] [ACD/IUPAC Name]
9-chloro-2-ethyl[1]benzothieno[3,2-d]pyrimidine-4-thiol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 384.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.9±3.0 kJ/mol
Flash Point: 186.6±27.9 °C
Index of Refraction: 1.767
Molar Refractivity: 79.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 2.54
ACD/KOC (pH 5.5): 13.57
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.63
Polar Surface Area: 93 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 191.0±3.0 cm3

Click to predict properties on the Chemicalize site


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