Found 26 results

Search term: MF = 'C_{27}H_{31}NO_{3}S_{2}'
ChemSpider 2D Image | [2-{3-Oxo-4-[(3-phenylpropyl)sulfanyl]butyl}-5-(2-phenylethyl)-1,3-thiazol-4-yl]methyl acetate | C27H31NO3S2

[2-{3-Oxo-4-[(3-phenylpropyl)sulfanyl]butyl}-5-(2-phenylethyl)-1,3-thiazol-4-yl]methyl acetate

  • Molecular FormulaC27H31NO3S2
  • Average mass481.670 Da
  • Monoisotopic mass481.174530 Da
  • ChemSpider ID31147031

More details:

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

[2-{3-Oxo-4-[(3-phenylpropyl)sulfanyl]butyl}-5-(2-phenylethyl)-1,3-thiazol-4-yl]methyl acetate [ACD/IUPAC Name]
[2-{3-Oxo-4-[(3-phenylpropyl)sulfanyl]butyl}-5-(2-phenylethyl)-1,3-thiazol-4-yl]methyl-acetat [German] [ACD/IUPAC Name]
2-Butanone, 4-[4-[(acetyloxy)methyl]-5-(2-phenylethyl)-2-thiazolyl]-1-[(3-phenylpropyl)thio]- [ACD/Index Name]
Acétate de [2-{3-oxo-4-[(3-phénylpropyl)sulfanyl]butyl}-5-(2-phényléthyl)-1,3-thiazol-4-yl]méthyle [French] [ACD/IUPAC Name]
Trisubsituted thiazole, 30

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

Density: 1.2±0.1 g/cm3
Boiling Point: 601.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 317.8±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 137.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 27807.68
ACD/KOC (pH 5.5): 52808.11
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 27811.50
ACD/KOC (pH 7.4): 52815.36
Polar Surface Area: 110 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 405.6±3.0 cm3

Click to predict properties on the Chemicalize site


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