ChemSpider 2D Image | 1-{2-(Benzylsulfanyl)-7-[2-(dimethylamino)vinyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone | C18H19N5OS

1-{2-(Benzylsulfanyl)-7-[2-(dimethylamino)vinyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone

  • Molecular FormulaC18H19N5OS
  • Average mass353.441 Da
  • Monoisotopic mass353.131042 Da
  • ChemSpider ID29844006

More details:

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

1-{2-(Benzylsulfanyl)-7-[2-(dimethylamino)vinyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanon [German] [ACD/IUPAC Name]
1-{2-(Benzylsulfanyl)-7-[2-(dimethylamino)vinyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone [ACD/IUPAC Name]
1-{2-(Benzylsulfanyl)-7-[2-(diméthylamino)vinyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[7-[2-(dimethylamino)ethenyl]-2-[(phenylmethyl)thio][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]- [ACD/Index Name]
1-(2-(Benzylthio)-7-(2-(dimethylamino)vinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
1306753-48-9 [RN]
MFCD19103622 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 103.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 26.08
ACD/KOC (pH 5.5): 262.56
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 76.66
ACD/KOC (pH 7.4): 771.64
Polar Surface Area: 89 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 281.7±7.0 cm3

Click to predict properties on the Chemicalize site


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