Found 11 results

Search term: MF = 'C_{26}H_{28}O_{2}S_{2}'
ChemSpider 2D Image | (1S,4R,7R,8S)-6-tert-Butyl-1,3-bis(4-methoxyphenyl)-9,10-dithiatricyclo[5.2.1.0~4,8~]deca-2,5-diene | C26H28O2S2

(1S,4R,7R,8S)-6-tert-Butyl-1,3-bis(4-methoxyphenyl)-9,10-dithiatricyclo[5.2.1.04,8]deca-2,5-diene

  • Molecular FormulaC26H28O2S2
  • Average mass436.629 Da
  • Monoisotopic mass436.153076 Da
  • ChemSpider ID24535500

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S,4R,7R,8S)-1,3-Bis(4-methoxyphenyl)-6-(2-methyl-2-propanyl)-9,10-dithiatricyclo[5.2.1.04,8]deca-2,5-dien [German] [ACD/IUPAC Name]
(1S,4R,7R,8S)-1,3-Bis(4-methoxyphenyl)-6-(2-methyl-2-propanyl)-9,10-dithiatricyclo[5.2.1.04,8]deca-2,5-diene [ACD/IUPAC Name]
(1S,4R,7R,8S)-1,3-Bis(4-méthoxyphényl)-6-(2-méthyl-2-propanyl)-9,10-dithiatricyclo[5.2.1.04,8]déca-2,5-diène [French] [ACD/IUPAC Name]
(1S,4R,7R,8S)-6-tert-Butyl-1,3-bis(4-methoxyphenyl)-9,10-dithiatricyclo[5.2.1.04,8]deca-2,5-diene
2,7-Epithiocyclopenta[b]thiopyran, 6-(1,1-dimethylethyl)-2,4a,7,7a-tetrahydro-2,4-bis(4-methoxyphenyl)-, (2S,4aR,7R,7aS)- [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: 561.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 293.6±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 128.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.97
ACD/LogD (pH 5.5): 7.53
ACD/BCF (pH 5.5): 310771.50
ACD/KOC (pH 5.5): 297210.03
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 310771.50
ACD/KOC (pH 7.4): 297210.03
Polar Surface Area: 69 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 358.4±3.0 cm3

Click to predict properties on the Chemicalize site


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