Found 26 results

Search term: MF = 'C_{27}H_{31}NO_{3}S_{2}'
ChemSpider 2D Image | Ethyl 2-{[2-(isobutylsulfanyl)benzoyl]amino}-4-(4-isopropylphenyl)-3-thiophenecarboxylate | C27H31NO3S2

Ethyl 2-{[2-(isobutylsulfanyl)benzoyl]amino}-4-(4-isopropylphenyl)-3-thiophenecarboxylate

  • Molecular FormulaC27H31NO3S2
  • Average mass481.670 Da
  • Monoisotopic mass481.174530 Da
  • ChemSpider ID120062047

More details:

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

2-{[2-(Isobutylsulfanyl)benzoyl]amino}-4-(4-isopropylphényl)-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 4-[4-(1-methylethyl)phenyl]-2-[[2-[(2-methylpropyl)thio]benzoyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-{[2-(isobutylsulfanyl)benzoyl]amino}-4-(4-isopropylphenyl)-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-2-{[2-(isobutylsulfanyl)benzoyl]amino}-4-(4-isopropylphenyl)-3-thiophencarboxylat [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: 546.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.2±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 9.45
ACD/LogD (pH 5.5): 7.87
ACD/BCF (pH 5.5): 565535.69
ACD/KOC (pH 5.5): 456228.16
ACD/LogD (pH 7.4): 7.87
ACD/BCF (pH 7.4): 565525.75
ACD/KOC (pH 7.4): 456220.13
Polar Surface Area: 109 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 399.4±5.0 cm3

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