ChemSpider 2D Image | 1-(3-Ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane | C9H16N4S

1-(3-Ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane

  • Molecular FormulaC9H16N4S
  • Average mass212.315 Da
  • Monoisotopic mass212.109573 Da
  • ChemSpider ID28546494

More details:






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

1-(3-Ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan [German] [ACD/IUPAC Name]
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane [ACD/IUPAC Name]
1-(3-Éthyl-1,2,4-thiadiazol-5-yl)-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-(3-ethyl-1,2,4-thiadiazol-5-yl)hexahydro- [ACD/Index Name]
1375174-46-1 [RN]
MFCD21191468

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 353.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.8±3.0 kJ/mol
Flash Point: 167.3±30.7 °C
Index of Refraction: 1.548
Molar Refractivity: 58.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -2.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 69 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 184.2±3.0 cm3

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