ChemSpider 2D Image | 1-Benzyl-1,4-dihydro-3-pyridinecarbothioamide | C13H14N2S

1-Benzyl-1,4-dihydro-3-pyridinecarbothioamide

  • Molecular FormulaC13H14N2S
  • Average mass230.329 Da
  • Monoisotopic mass230.087769 Da
  • ChemSpider ID28680185

More details:

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

1-Benzyl-1,4-dihydro-3-pyridincarbothioamid [German] [ACD/IUPAC Name]
1-Benzyl-1,4-dihydro-3-pyridinecarbothioamide [ACD/IUPAC Name]
1-Benzyl-1,4-dihydro-3-pyridinecarbothioamide [French] [ACD/IUPAC Name]
3-Pyridinecarbothioamide, 1,4-dihydro-1-(phenylmethyl)- [ACD/Index Name]
126939-95-5 [RN]
1-Benzyl-1,4-dihydropyridine-3-carbothioamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 391.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 190.8±30.7 °C
Index of Refraction: 1.678
Molar Refractivity: 70.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 36.97
ACD/KOC (pH 5.5): 460.21
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.26
ACD/KOC (pH 7.4): 463.75
Polar Surface Area: 61 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 186.7±3.0 cm3

Click to predict properties on the Chemicalize site


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