ChemSpider 2D Image | Methyl 2-[(Z)-(2-hydroxybenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C17H17NO3S

Methyl 2-[(Z)-(2-hydroxybenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC17H17NO3S
  • Average mass315.387 Da
  • Monoisotopic mass315.092926 Da
  • ChemSpider ID30655476

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(Z)-(2-Hydroxybenzylidène)amino]-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(1Z)-(2-hydroxyphenyl)methylene]amino]-, methyl ester [ACD/Index Name]
Methyl 2-[(Z)-(2-hydroxybenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Methyl-2-[(Z)-(2-hydroxybenzyliden)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: 1.3±0.1 g/cm3
Boiling Point: 558.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 291.6±30.1 °C
Index of Refraction: 1.645
Molar Refractivity: 87.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1338.19
ACD/KOC (pH 5.5): 6013.94
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1111.70
ACD/KOC (pH 7.4): 4996.08
Polar Surface Area: 87 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 240.1±7.0 cm3

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