ChemSpider 2D Image | 6-Ethyl-4-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine | C16H13N5S2

6-Ethyl-4-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine

  • Molecular FormulaC16H13N5S2
  • Average mass339.438 Da
  • Monoisotopic mass339.061249 Da
  • ChemSpider ID22391363

More details:

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

6-Ethyl-4-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
6-Ethyl-4-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine [ACD/IUPAC Name]
6-Éthyl-4-[(1-phényl-1H-1,2,4-triazol-3-yl)sulfanyl]thiéno[2,3-d]pyrimidine [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine, 6-ethyl-4-[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]- [ACD/Index 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: 575.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 302.0±32.9 °C
Index of Refraction: 1.775
Molar Refractivity: 97.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 363.47
ACD/KOC (pH 5.5): 2368.03
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 363.47
ACD/KOC (pH 7.4): 2368.05
Polar Surface Area: 110 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 62.5±7.0 dyne/cm
Molar Volume: 233.9±7.0 cm3

Click to predict properties on the Chemicalize site


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