ChemSpider 2D Image | Ethyl 2-[(Z)-{4-[4-(2-methyl-2-propanyl)phenyl]-3-phenyl-1,3-thiazol-2(3H)-ylidene}amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C30H32N2O2S2

Ethyl 2-[(Z)-{4-[4-(2-methyl-2-propanyl)phenyl]-3-phenyl-1,3-thiazol-2(3H)-ylidene}amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC30H32N2O2S2
  • Average mass516.717 Da
  • Monoisotopic mass516.190491 Da
  • ChemSpider ID7934162

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(Z)-{4-[4-(2-Méthyl-2-propanyl)phényl]-3-phényl-1,3-thiazol-2(3H)-ylidène}amino]-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[[(2Z)-4-[4-(1,1-dimethylethyl)phenyl]-3-phenyl-2(3H)-thiazolylidene]amino]-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl 2-[(Z)-{4-[4-(2-methyl-2-propanyl)phenyl]-3-phenyl-1,3-thiazol-2(3H)-ylidene}amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-[(Z)-{4-[4-(2-methyl-2-propanyl)phenyl]-3-phenyl-1,3-thiazol-2(3H)-yliden}amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 673.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.4±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 152.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 10.68
ACD/LogD (pH 5.5): 8.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 882035.50
ACD/LogD (pH 7.4): 8.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 882035.50
Polar Surface Area: 95 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 422.6±7.0 cm3

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