ChemSpider 2D Image | 2-Methyl-4-{[3-(4-pyridinyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine | C18H16N6S2

2-Methyl-4-{[3-(4-pyridinyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

  • Molecular FormulaC18H16N6S2
  • Average mass380.490 Da
  • Monoisotopic mass380.087799 Da
  • ChemSpider ID21727895

More details:

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

[1]Benzothieno[2,3-d]pyrimidine, 5,6,7,8-tetrahydro-2-methyl-4-[[5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
2-Methyl-4-{[3-(4-pyridinyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
2-Methyl-4-{[3-(4-pyridinyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine [ACD/IUPAC Name]
2-Méthyl-4-{[3-(4-pyridinyl)-1H-1,2,4-triazol-5-yl]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: 1.5±0.1 g/cm3
Boiling Point: 614.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 325.7±34.3 °C
Index of Refraction: 1.760
Molar Refractivity: 103.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 344.17
ACD/KOC (pH 5.5): 2231.64
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 168.90
ACD/KOC (pH 7.4): 1095.20
Polar Surface Area: 134 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 98.9±5.0 dyne/cm
Molar Volume: 252.5±5.0 cm3

Click to predict properties on the Chemicalize site


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