ChemSpider 2D Image | 2-Isopropyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-4(1H)-thione | C13H16N2S2

2-Isopropyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-4(1H)-thione

  • Molecular FormulaC13H16N2S2
  • Average mass264.409 Da
  • Monoisotopic mass264.075500 Da
  • ChemSpider ID17824788

More details:

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

[1]Benzothieno[2,3-d]pyrimidine-4-thiol, 5,6,7,8-tetrahydro-2-(1-methylethyl)- [ACD/Index Name]
2-Isopropyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-thion [German] [ACD/IUPAC Name]
2-Isopropyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-4(1H)-thione [ACD/IUPAC Name]
2-Isopropyl-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidine-4(1H)-thione [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 357.6±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 57.9±3.0 kJ/mol
Flash Point: 170.1±22.9 °C
Index of Refraction: 1.667
Molar Refractivity: 77.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 7.49
ACD/KOC (pH 5.5): 29.31
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 4.27
ACD/KOC (pH 7.4): 16.69
Polar Surface Area: 93 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 209.0±3.0 cm3

Click to predict properties on the Chemicalize site


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