ChemSpider 2D Image | 4,6-Bis{(Z)-2-[4-(benzylsulfanyl)phenyl]vinyl}-2-(methylsulfanyl)pyrimidine | C35H30N2S3

4,6-Bis{(Z)-2-[4-(benzylsulfanyl)phenyl]vinyl}-2-(methylsulfanyl)pyrimidine

  • Molecular FormulaC35H30N2S3
  • Average mass574.821 Da
  • Monoisotopic mass574.157104 Da
  • ChemSpider ID30655428

  • Double-bond stereo - Double-bond stereo

More details:

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

4,6-Bis{(Z)-2-[4-(benzylsulfanyl)phenyl]vinyl}-2-(methylsulfanyl)pyrimidin [German] [ACD/IUPAC Name]
4,6-Bis{(Z)-2-[4-(benzylsulfanyl)phenyl]vinyl}-2-(methylsulfanyl)pyrimidine [ACD/IUPAC Name]
4,6-Bis{(Z)-2-[4-(benzylsulfanyl)phényl]vinyl}-2-(méthylsulfanyl)pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 2-(methylthio)-4,6-bis[(Z)-2-[4-[(phenylmethyl)thio]phenyl]ethenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 762.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 415.1±32.9 °C
Index of Refraction: 1.712
Molar Refractivity: 177.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 9.40
ACD/LogD (pH 5.5): 8.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1329066.13
ACD/LogD (pH 7.4): 8.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1329072.00
Polar Surface Area: 102 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 453.0±5.0 cm3

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