Found 1 result

Search term: LSJCIHYANJPFIK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-{4-[(Z)-(4-Hydroxy-3-nitrobenzylidene)amino]-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl}propanoic acid | C13H11N5O6S

3-{4-[(Z)-(4-Hydroxy-3-nitrobenzylidene)amino]-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl}propanoic acid

  • Molecular FormulaC13H11N5O6S
  • Average mass365.321 Da
  • Monoisotopic mass365.042999 Da
  • ChemSpider ID32104222

  • Double-bond stereo - Double-bond stereo

More details:

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

1,2,4-Triazine-6-propanoic acid, 2,3,4,5-tetrahydro-4-[[(1Z)-(4-hydroxy-3-nitrophenyl)methylene]amino]-5-oxo-3-thioxo- [ACD/Index Name]
3-{4-[(Z)-(4-Hydroxy-3-nitrobenzyliden)amino]-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl}propansäure [German] [ACD/IUPAC Name]
3-{4-[(Z)-(4-Hydroxy-3-nitrobenzylidene)amino]-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl}propanoic acid [ACD/IUPAC Name]
Acide 3-{4-[(Z)-(4-hydroxy-3-nitrobenzylidène)amino]-5-oxo-3-thioxo-2,3,4,5-tétrahydro-1,2,4-triazin-6-yl}propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 566.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 296.5±32.9 °C
Index of Refraction: 1.751
Molar Refractivity: 86.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.80
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.03
ACD/LogD (pH 7.4): -4.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 80.1±7.0 dyne/cm
Molar Volume: 213.0±7.0 cm3

Click to predict properties on the Chemicalize site


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