ChemSpider 2D Image | 2-Methoxy-6-{(E)-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)imino]methyl}phenol | C10H9N3O2S2

2-Methoxy-6-{(E)-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)imino]methyl}phenol

  • Molecular FormulaC10H9N3O2S2
  • Average mass267.327 Da
  • Monoisotopic mass267.013611 Da
  • ChemSpider ID21423146

  • 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)-(2-hydroxy-3-methoxyphenyl)methylene]amino]- [ACD/Index Name]
2-Methoxy-6-{(E)-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)imino]methyl}phenol
5-[(E)-(2-Hydroxy-3-methoxybenzyliden)amino]-1,3,4-thiadiazol-2(3H)-thion [German] [ACD/IUPAC Name]
5-[(E)-(2-Hydroxy-3-methoxybenzylidene)amino]-1,3,4-thiadiazole-2(3H)-thione [ACD/IUPAC Name]
5-[(E)-(2-Hydroxy-3-méthoxybenzylidène)amino]-1,3,4-thiadiazole-2(3H)-thione [French] [ACD/IUPAC Name]
phenol, 2-[(E)-[(5-mercapto-1,3,4-thiadiazol-2-yl)imino]methyl]-6-methoxy-

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

Density: 1.5±0.1 g/cm3
Boiling Point: 453.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 228.2±31.5 °C
Index of Refraction: 1.720
Molar Refractivity: 69.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.57
ACD/LogD (pH 7.4): -0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 176.8±7.0 cm3

Click to predict properties on the Chemicalize site


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