ChemSpider 2D Image | 2-[(2,2,3,3,3-~2~H_5_)Propyl]-4-pyridinecarbothioamide | C9H7D5N2S

2-[(2,2,3,3,3-2H5)Propyl]-4-pyridinecarbothioamide

  • Molecular FormulaC9H7D5N2S
  • Average mass185.301 Da
  • Monoisotopic mass185.103500 Da
  • ChemSpider ID48061219

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[(2,2,3,3,3-2H5)Propyl]-4-pyridincarbothioamid [German] [ACD/IUPAC Name]
2-[(2,2,3,3,3-2H5)Propyl]-4-pyridinecarbothioamide [ACD/IUPAC Name]
2-[(2,2,3,3,3-2H5)Propyl]-4-pyridinecarbothioamide [French] [ACD/IUPAC Name]
4-Pyridinecarbothioamide, 2-(propyl-2,2,3,3,3-d5)- [ACD/Index Name]
1330261-26-1 [RN]
2-(2,2,3,3,3-pentadeuteriopropyl)pyridine-4-carbothioamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 310.4±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.1±3.0 kJ/mol
Flash Point: 141.5±28.4 °C
Index of Refraction: 1.607
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.54
ACD/KOC (pH 5.5): 199.47
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.73
ACD/KOC (pH 7.4): 202.80
Polar Surface Area: 71 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 158.6±3.0 cm3

Click to predict properties on the Chemicalize site


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