ChemSpider 2D Image | 1-{3-[1-(Ethylsulfanyl)ethyl]-1,2,4-oxadiazol-5-yl}-N-methylmethanamine | C8H15N3OS

1-{3-[1-(Ethylsulfanyl)ethyl]-1,2,4-oxadiazol-5-yl}-N-methylmethanamine

  • Molecular FormulaC8H15N3OS
  • Average mass201.289 Da
  • Monoisotopic mass201.093582 Da
  • ChemSpider ID28543413

More details:

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

1,2,4-Oxadiazole-5-methanamine, 3-[1-(ethylthio)ethyl]-N-methyl- [ACD/Index Name]
1-{3-[1-(Ethylsulfanyl)ethyl]-1,2,4-oxadiazol-5-yl}-N-methylmethanamin [German] [ACD/IUPAC Name]
1-{3-[1-(Ethylsulfanyl)ethyl]-1,2,4-oxadiazol-5-yl}-N-methylmethanamine [ACD/IUPAC Name]
1-{3-[1-(Éthylsulfanyl)éthyl]-1,2,4-oxadiazol-5-yl}-N-méthylméthanamine [French] [ACD/IUPAC Name]
({3-[1-(ethylsulfanyl)ethyl]-1,2,4-oxadiazol-5-yl}methyl)(methyl)amine
1394682-47-3 [RN]
MFCD22392101

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

Density: 1.1±0.1 g/cm3
Boiling Point: 298.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.9±3.0 kJ/mol
Flash Point: 134.5±30.1 °C
Index of Refraction: 1.517
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.28
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.80
ACD/KOC (pH 7.4): 68.40
Polar Surface Area: 76 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 180.9±3.0 cm3

Click to predict properties on the Chemicalize site


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