ChemSpider 2D Image | 4-[(4-Isopropylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine | C20H22N2S2

4-[(4-Isopropylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

  • Molecular FormulaC20H22N2S2
  • Average mass354.532 Da
  • Monoisotopic mass354.122437 Da
  • ChemSpider ID27299403

More details:

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

[1]Benzothieno[2,3-d]pyrimidine, 5,6,7,8-tetrahydro-4-[[[4-(1-methylethyl)phenyl]methyl]thio]- [ACD/Index Name]
4-[(4-Isopropylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
4-[(4-Isopropylbenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine [ACD/IUPAC Name]
4-[(4-Isopropylbenzyl)sulfanyl]-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 524.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 271.2±30.1 °C
Index of Refraction: 1.665
Molar Refractivity: 105.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 6.56
ACD/BCF (pH 5.5): 56981.39
ACD/KOC (pH 5.5): 88251.79
ACD/LogD (pH 7.4): 6.56
ACD/BCF (pH 7.4): 56986.70
ACD/KOC (pH 7.4): 88260.03
Polar Surface Area: 79 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 284.7±5.0 cm3

Click to predict properties on the Chemicalize site


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