ChemSpider 2D Image | 5-{[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]sulfanyl}-4-propyl-2,4-dihydro-3H-1,2,4-triazol-3-one | C9H13N5O2S

5-{[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]sulfanyl}-4-propyl-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC9H13N5O2S
  • Average mass255.297 Da
  • Monoisotopic mass255.078995 Da
  • ChemSpider ID26171509

More details:

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

3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thio]-4-propyl- [ACD/Index Name]
5-{[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]sulfanyl}-4-propyl-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
5-{[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]sulfanyl}-4-propyl-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
5-{[(5-Méthyl-1,2,4-oxadiazol-3-yl)méthyl]sulfanyl}-4-propyl-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 509.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 261.9±32.9 °C
Index of Refraction: 1.705
Molar Refractivity: 64.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 2.47
ACD/KOC (pH 5.5): 65.72
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.16
Polar Surface Area: 115 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 166.7±7.0 cm3

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