Found 26 results

Search term: MF = 'C_{27}H_{31}NO_{3}S_{2}'
ChemSpider 2D Image | Ethyl 6-(2-methyl-2-propanyl)-2-{[(2-naphthylsulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C27H31NO3S2

Ethyl 6-(2-methyl-2-propanyl)-2-{[(2-naphthylsulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC27H31NO3S2
  • Average mass481.670 Da
  • Monoisotopic mass481.174530 Da
  • ChemSpider ID68352373

More details:

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

6-(2-Méthyl-2-propanyl)-2-{[2-(2-naphtylsulfanyl)acétyl]amino}-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-2-[[2-(2-naphthalenylthio)acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 6-(2-methyl-2-propanyl)-2-{[(2-naphthylsulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-6-(2-methyl-2-propanyl)-2-{[(2-naphthylsulfanyl)acetyl]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: 681.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 365.8±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 138.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.99
ACD/LogD (pH 5.5): 7.79
ACD/BCF (pH 5.5): 493190.94
ACD/KOC (pH 5.5): 413649.00
ACD/LogD (pH 7.4): 7.79
ACD/BCF (pH 7.4): 493188.78
ACD/KOC (pH 7.4): 413647.19
Polar Surface Area: 109 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 387.3±5.0 cm3

Click to predict properties on the Chemicalize site


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