ChemSpider 2D Image | 4-Bromo-2-{(E)-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)imino]methyl}phenol | C9H6BrN3OS2

4-Bromo-2-{(E)-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)imino]methyl}phenol

  • Molecular FormulaC9H6BrN3OS2
  • Average mass316.197 Da
  • Monoisotopic mass314.913544 Da
  • ChemSpider ID21423156

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3,4-Thiadiazole-2(3H)-thione, 5-[[(1E)-(5-bromo-2-hydroxyphenyl)methylene]amino]- [ACD/Index Name]
4-Bromo-2-{(E)-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)imino]methyl}phenol
5-[(E)-(5-Brom-2-hydroxybenzyliden)amino]-1,3,4-thiadiazol-2(3H)-thion [German] [ACD/IUPAC Name]
5-[(E)-(5-Bromo-2-hydroxybenzylidene)amino]-1,3,4-thiadiazole-2(3H)-thione [ACD/IUPAC Name]
5-[(E)-(5-Bromo-2-hydroxybenzylidène)amino]-1,3,4-thiadiazole-2(3H)-thione [French] [ACD/IUPAC Name]
phenol, 4-bromo-2-[(E)-[(5-mercapto-1,3,4-thiadiazol-2-yl)imino]methyl]-

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

Density: 1.9±0.1 g/cm3
Boiling Point: 470.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 238.1±31.5 °C
Index of Refraction: 1.799
Molar Refractivity: 71.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 11.07
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 66.6±7.0 dyne/cm
Molar Volume: 167.7±7.0 cm3

Click to predict properties on the Chemicalize site


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