ChemSpider 2D Image | 5-(3-Nitrobenzyl)-1,3,4-thiadiazol-2-amine | C9H8N4O2S

5-(3-Nitrobenzyl)-1,3,4-thiadiazol-2-amine

  • Molecular FormulaC9H8N4O2S
  • Average mass236.250 Da
  • Monoisotopic mass236.036789 Da
  • ChemSpider ID24743946

More details:

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

1,3,4-Thiadiazol-2-amine, 5-[(3-nitrophenyl)methyl]- [ACD/Index Name]
5-(3-Nitrobenzyl)-1,3,4-thiadiazol-2-amin [German] [ACD/IUPAC Name]
5-(3-Nitrobenzyl)-1,3,4-thiadiazol-2-amine [ACD/IUPAC Name]
5-(3-Nitrobenzyl)-1,3,4-thiadiazol-2-amine [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: 487.7±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 248.7±29.3 °C
Index of Refraction: 1.693
Molar Refractivity: 60.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.19
ACD/KOC (pH 5.5): 156.47
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.25
ACD/KOC (pH 7.4): 157.57
Polar Surface Area: 126 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 77.3±3.0 dyne/cm
Molar Volume: 158.9±3.0 cm3

Click to predict properties on the Chemicalize site


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