ChemSpider 2D Image | 2-({[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one | C17H14N4OS4

2-({[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC17H14N4OS4
  • Average mass418.579 Da
  • Monoisotopic mass418.005035 Da
  • ChemSpider ID48257312

More details:

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

2-({[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
2-({[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
2-({[5-(Éthylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}méthyl)-5-phénylthiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4(3H)-one, 2-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-5-phenyl- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.813
Molar Refractivity: 114.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 504.46
ACD/KOC (pH 5.5): 2994.20
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 502.54
ACD/KOC (pH 7.4): 2982.79
Polar Surface Area: 174 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 69.6±7.0 dyne/cm
Molar Volume: 265.4±7.0 cm3

Click to predict properties on the Chemicalize site


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