Found 66 results

Search term: MF = 'C_{21}H_{20}OS'
ChemSpider 2D Image | (3Z,5E)-3,5-Bis(2-methylbenzylidene)tetrahydro-4H-thiopyran-4-one | C21H20OS

(3Z,5E)-3,5-Bis(2-methylbenzylidene)tetrahydro-4H-thiopyran-4-one

  • Molecular FormulaC21H20OS
  • Average mass320.448 Da
  • Monoisotopic mass320.123474 Da
  • ChemSpider ID95667413

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z,5E)-3,5-Bis(2-methylbenzyliden)tetrahydro-4H-thiopyran-4-on [German] [ACD/IUPAC Name]
(3Z,5E)-3,5-Bis(2-methylbenzylidene)tetrahydro-4H-thiopyran-4-one [ACD/IUPAC Name]
(3Z,5E)-3,5-Bis(2-méthylbenzylidène)tétrahydro-4H-thiopyrane-4-one [French] [ACD/IUPAC Name]
4H-Thiopyran-4-one, tetrahydro-3,5-bis[(2-methylphenyl)methylene]-, (3Z,5E)- [ACD/Index 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: 524.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 305.2±15.8 °C
Index of Refraction: 1.680
Molar Refractivity: 102.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11872.98
ACD/KOC (pH 5.5): 28718.29
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11872.98
ACD/KOC (pH 7.4): 28718.29
Polar Surface Area: 42 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 270.5±3.0 cm3

Click to predict properties on the Chemicalize site


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