Found 2 results

Search term: FTHKWIMQNXVEHW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-[(~2~H)Ethynylsulfonyl]-4-methylbenzene | C9H7DO2S

1-[(2H)Ethynylsulfonyl]-4-methylbenzene

  • Molecular FormulaC9H7DO2S
  • Average mass181.230 Da
  • Monoisotopic mass181.030777 Da
  • ChemSpider ID26595484

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[(2H)Ethinylsulfonyl]-4-methylbenzol [German] [ACD/IUPAC Name]
1-[(2H)Ethynylsulfonyl]-4-methylbenzene [ACD/IUPAC Name]
1-[(2H)Éthynylsulfonyl]-4-méthylbenzène [French] [ACD/IUPAC Name]
Benzene, 1-(ethynyl-d-sulfonyl)-4-methyl- [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: 297.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.6±3.0 kJ/mol
Flash Point: 155.6±18.1 °C
Index of Refraction: 1.553
Molar Refractivity: 47.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.31
ACD/KOC (pH 5.5): 310.88
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.31
ACD/KOC (pH 7.4): 310.88
Polar Surface Area: 43 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 147.8±3.0 cm3

Click to predict properties on the Chemicalize site


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