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Search term: ATVMGBCJNMLOMO-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-(Isobutylsulfanyl)-N-(3-pyridinyl)propanamide | C12H18N2OS

3-(Isobutylsulfanyl)-N-(3-pyridinyl)propanamide

  • Molecular FormulaC12H18N2OS
  • Average mass238.349 Da
  • Monoisotopic mass238.113983 Da
  • ChemSpider ID26195903

More details:

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

3-(Isobutylsulfanyl)-N-(3-pyridinyl)propanamid [German] [ACD/IUPAC Name]
3-(Isobutylsulfanyl)-N-(3-pyridinyl)propanamide [ACD/IUPAC Name]
3-(Isobutylsulfanyl)-N-(3-pyridinyl)propanamide [French] [ACD/IUPAC Name]
Propanamide, 3-[(2-methylpropyl)thio]-N-3-pyridinyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 425.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.4±23.2 °C
Index of Refraction: 1.570
Molar Refractivity: 69.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 31.80
ACD/KOC (pH 5.5): 396.56
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 36.94
ACD/KOC (pH 7.4): 460.66
Polar Surface Area: 67 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 212.6±3.0 cm3

Click to predict properties on the Chemicalize site


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