ChemSpider 2D Image | 3-[(1,3,4-Thiadiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazole | C5H4N4OS2

3-[(1,3,4-Thiadiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazole

  • Molecular FormulaC5H4N4OS2
  • Average mass200.242 Da
  • Monoisotopic mass199.982651 Da
  • ChemSpider ID61190805

More details:

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

1,2,4-Oxadiazole, 3-[(1,3,4-thiadiazol-2-ylthio)methyl]- [ACD/Index Name]
3-[(1,3,4-Thiadiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
3-[(1,3,4-Thiadiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazole [ACD/IUPAC Name]
3-[(1,3,4-Thiadiazol-2-ylsulfanyl)méthyl]-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
1878364-80-7 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 368.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 176.9±30.7 °C
Index of Refraction: 1.658
Molar Refractivity: 45.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 2.28
ACD/KOC (pH 5.5): 62.77
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 2.28
ACD/KOC (pH 7.4): 62.77
Polar Surface Area: 118 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 97.7±5.0 dyne/cm
Molar Volume: 124.8±5.0 cm3

Click to predict properties on the Chemicalize site


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