ChemSpider 2D Image | Dimethyl (3E)-1-methyl-3-(phenylimino)-3,5-dihydrocyclopenta[c]thiopyran-6,6(7H)-dicarboxylate | C19H19NO4S

Dimethyl (3E)-1-methyl-3-(phenylimino)-3,5-dihydrocyclopenta[c]thiopyran-6,6(7H)-dicarboxylate

  • Molecular FormulaC19H19NO4S
  • Average mass357.423 Da
  • Monoisotopic mass357.103485 Da
  • ChemSpider ID30660436

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-1-Méthyl-3-(phénylimino)-3,5-dihydrocyclopenta[c]thiopyrane-6,6(7H)-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Cyclopenta[c]thiopyran-6,6(7H)-dicarboxylic acid, 3,5-dihydro-1-methyl-3-(phenylimino)-, dimethyl ester, (3E)- [ACD/Index Name]
Dimethyl (3E)-1-methyl-3-(phenylimino)-3,5-dihydrocyclopenta[c]thiopyran-6,6(7H)-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(3E)-1-methyl-3-(phenylimino)-3,5-dihydrocyclopenta[c]thiopyran-6,6(7H)-dicarboxylat [German] [ACD/IUPAC 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: 474.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 240.5±28.7 °C
Index of Refraction: 1.609
Molar Refractivity: 97.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 428.50
ACD/KOC (pH 5.5): 2656.92
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 432.56
ACD/KOC (pH 7.4): 2682.07
Polar Surface Area: 90 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 282.4±7.0 cm3

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