Found 215 results

Search term: MF = 'C_{17}H_{16}N_{2}S_{2}'
ChemSpider 2D Image | 2-Benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-4(1H)-thione | C17H16N2S2

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

  • Molecular FormulaC17H16N2S2
  • Average mass312.452 Da
  • Monoisotopic mass312.075500 Da
  • ChemSpider ID17824846

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-(phenylmethyl)- [ACD/Index Name]
2-Benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-thion [German] [ACD/IUPAC Name]
2-Benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-4(1H)-thione [ACD/IUPAC Name]
2-Benzyl-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidine-4(1H)-thione [French] [ACD/IUPAC Name]
2-Benzyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine-4-thiol
917749-77-0 [RN]
MFCD08898826

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

Density: 1.3±0.1 g/cm3
Boiling Point: 446.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 224.0±26.5 °C
Index of Refraction: 1.708
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 19.69
ACD/KOC (pH 5.5): 58.83
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 11.27
ACD/KOC (pH 7.4): 33.66
Polar Surface Area: 93 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 238.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement