Found 13 results

Search term: MF = 'C_{25}H_{18}OS'
ChemSpider 2D Image | (1S,2E)-2-(3-Methylbenzylidene)-1-phenyl-1,2-dihydro-3H-benzo[b]cyclopenta[d]thiophen-3-one | C25H18OS

(1S,2E)-2-(3-Methylbenzylidene)-1-phenyl-1,2-dihydro-3H-benzo[b]cyclopenta[d]thiophen-3-one

  • Molecular FormulaC25H18OS
  • Average mass366.475 Da
  • Monoisotopic mass366.107849 Da
  • ChemSpider ID75587059

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S,2E)-2-(3-Methylbenzyliden)-1-phenyl-1,2-dihydro-3H-benzo[b]cyclopenta[d]thiophen-3-on [German] [ACD/IUPAC Name]
(1S,2E)-2-(3-Methylbenzylidene)-1-phenyl-1,2-dihydro-3H-benzo[b]cyclopenta[d]thiophen-3-one [ACD/IUPAC Name]
(1S,2E)-2-(3-Méthylbenzylidène)-1-phényl-1,2-dihydro-3H-benzo[b]cyclopenta[d]thiophén-3-one [French] [ACD/IUPAC Name]
3H-Benzo[b]cyclopenta[d]thiophen-3-one, 1,2-dihydro-2-[(3-methylphenyl)methylene]-1-phenyl-, (1S,2E)- [ACD/Index 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: 545.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.7±30.1 °C
Index of Refraction: 1.732
Molar Refractivity: 114.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.40
ACD/LogD (pH 5.5): 6.91
ACD/BCF (pH 5.5): 104389.82
ACD/KOC (pH 5.5): 136123.94
ACD/LogD (pH 7.4): 6.91
ACD/BCF (pH 7.4): 104389.82
ACD/KOC (pH 7.4): 136123.94
Polar Surface Area: 45 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 286.9±3.0 cm3

Click to predict properties on the Chemicalize site


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