Found 17 results

Search term: MF = 'C_{28}H_{26}N_{2}S'
ChemSpider 2D Image | 2-{4-[(4,4-Dimethyl-3,4-dihydro-2H-thiochromen-6-yl)ethynyl]phenyl}-1-ethyl-1H-benzimidazole | C28H26N2S

2-{4-[(4,4-Dimethyl-3,4-dihydro-2H-thiochromen-6-yl)ethynyl]phenyl}-1-ethyl-1H-benzimidazole

  • Molecular FormulaC28H26N2S
  • Average mass422.584 Da
  • Monoisotopic mass422.181671 Da
  • ChemSpider ID23331568

More details:

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

1H-Benzimidazole, 2-[4-[2-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]phenyl]-1-ethyl- [ACD/Index Name]
2-{4-[(4,4-Dimethyl-3,4-dihydro-2H-thiochromen-6-yl)ethinyl]phenyl}-1-ethyl-1H-benzimidazol [German] [ACD/IUPAC Name]
2-{4-[(4,4-Dimethyl-3,4-dihydro-2H-thiochromen-6-yl)ethynyl]phenyl}-1-ethyl-1H-benzimidazole [ACD/IUPAC Name]
2-{4-[(4,4-Diméthyl-3,4-dihydro-2H-thiochromén-6-yl)éthynyl]phényl}-1-éthyl-1H-benzimidazole [French] [ACD/IUPAC Name]
1-Ethyl 2[4-(4,4-dimethylthiochroman-6-yl-ethynyl)-phenyl]-1H-benzimidazole
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL472371/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 606.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 320.7±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 133.6±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 9.22
ACD/LogD (pH 5.5): 7.61
ACD/BCF (pH 5.5): 340336.88
ACD/KOC (pH 5.5): 296109.09
ACD/LogD (pH 7.4): 7.72
ACD/BCF (pH 7.4): 432000.94
ACD/KOC (pH 7.4): 375861.19
Polar Surface Area: 43 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 373.2±7.0 cm3

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