ChemSpider 2D Image | 5,6-Dimethyl-2-{[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}thieno[2,3-d]pyrimidin-4(1H)-one | C17H14N4OS4

5,6-Dimethyl-2-{[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}thieno[2,3-d]pyrimidin-4(1H)-one

  • Molecular FormulaC17H14N4OS4
  • Average mass418.579 Da
  • Monoisotopic mass418.005035 Da
  • ChemSpider ID22003971

More details:

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

5,6-Dimethyl-2-{[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}thieno[2,3-d]pyrimidin-4(1H)-on [German] [ACD/IUPAC Name]
5,6-Dimethyl-2-{[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}thieno[2,3-d]pyrimidin-4(1H)-one [ACD/IUPAC Name]
5,6-Diméthyl-2-{[(4-phényl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]méthyl}thiéno[2,3-d]pyrimidin-4(1H)-one [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4(3H)-one, 2-[[(4,5-dihydro-4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]methyl]-5,6-dimethyl- [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: 1.818
Molar Refractivity: 115.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.15
ACD/KOC (pH 5.5): 1007.53
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.06
ACD/KOC (pH 7.4): 1006.67
Polar Surface Area: 168 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 65.3±7.0 dyne/cm
Molar Volume: 264.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement