ChemSpider 2D Image | 5-{[2-Chloro(~2~H_4_)phenyl]methyl}-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one | C14H10D4ClNOS

5-{[2-Chloro(2H4)phenyl]methyl}-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one

  • Molecular FormulaC14H10D4ClNOS
  • Average mass283.810 Da
  • Monoisotopic mass283.073578 Da
  • ChemSpider ID48060649
  • Non-standard isotope - Non-standard isotope


More details:






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

5-{[2-Chlor(2H4)phenyl]methyl}-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-on [German] [ACD/IUPAC Name]
5-{[2-Chloro(2H4)phenyl]methyl}-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one [ACD/IUPAC Name]
5-{[2-Chloro(2H4)phényl]méthyl}-5,6,7,7a-tétrahydrothiéno[3,2-c]pyridin-2(4H)-one [French] [ACD/IUPAC Name]
Thieno[3,2-c]pyridin-2(4H)-one, 5-[(6-chlorophenyl-2,3,4,5-d4)methyl]-5,6,7,7a-tetrahydro- [ACD/Index Name]
1276575-37-1 [RN]
5-[(2-chloro-3,4,5,6-tetradeuteriophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 437.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 218.6±28.7 °C
Index of Refraction: 1.661
Molar Refractivity: 76.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 22.84
ACD/KOC (pH 5.5): 223.89
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 83.43
ACD/KOC (pH 7.4): 817.79
Polar Surface Area: 46 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 206.3±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement