ChemSpider 2D Image | Dimethyl (3Z)-3-[(ethoxycarbonyl)imino]-3,5-dihydrocyclopenta[c]thiopyran-6,6(7H)-dicarboxylate | C15H17NO6S

Dimethyl (3Z)-3-[(ethoxycarbonyl)imino]-3,5-dihydrocyclopenta[c]thiopyran-6,6(7H)-dicarboxylate

  • Molecular FormulaC15H17NO6S
  • Average mass339.364 Da
  • Monoisotopic mass339.077667 Da
  • ChemSpider ID30660524

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-3-[(Éthoxycarbonyl)imino]-3,5-dihydrocyclopenta[c]thiopyrane-6,6(7H)-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Cyclopenta[c]thiopyran-6,6(7H)-dicarboxylic acid, 3-[(ethoxycarbonyl)imino]-3,5-dihydro-, dimethyl ester, (3Z)- [ACD/Index Name]
Dimethyl (3Z)-3-[(ethoxycarbonyl)imino]-3,5-dihydrocyclopenta[c]thiopyran-6,6(7H)-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(3Z)-3-[(ethoxycarbonyl)imino]-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: 1.4±0.1 g/cm3
Boiling Point: 462.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.7±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 84.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.49
ACD/KOC (pH 5.5): 382.69
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.49
ACD/KOC (pH 7.4): 382.69
Polar Surface Area: 117 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 250.4±7.0 cm3

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