Found 26 results

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

Ethyl 4-(4-isopropylphenyl)-2-({4-[(4-methylphenyl)sulfanyl]butanoyl}amino)-3-thiophenecarboxylate

  • Molecular FormulaC27H31NO3S2
  • Average mass481.670 Da
  • Monoisotopic mass481.174530 Da
  • ChemSpider ID120078896

More details:

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

3-Thiophenecarboxylic acid, 4-[4-(1-methylethyl)phenyl]-2-[[4-[(4-methylphenyl)thio]-1-oxobutyl]amino]-, ethyl ester [ACD/Index Name]
4-(4-Isopropylphényl)-2-({4-[(4-méthylphényl)sulfanyl]butanoyl}amino)-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(4-isopropylphenyl)-2-({4-[(4-methylphenyl)sulfanyl]butanoyl}amino)-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-4-(4-isopropylphenyl)-2-({4-[(4-methylphenyl)sulfanyl]butanoyl}amino)-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: 646.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.6±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 8.24
ACD/LogD (pH 5.5): 7.44
ACD/BCF (pH 5.5): 264345.59
ACD/KOC (pH 5.5): 264706.91
ACD/LogD (pH 7.4): 7.44
ACD/BCF (pH 7.4): 264345.59
ACD/KOC (pH 7.4): 264706.91
Polar Surface Area: 109 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 398.8±5.0 cm3

Click to predict properties on the Chemicalize site


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