ChemSpider 2D Image | 4-[(E)-(Carbamothioylhydrazono)methyl]-2-methoxyphenyl 2-nitrobenzenesulfonate | C15H14N4O6S2

4-[(E)-(Carbamothioylhydrazono)methyl]-2-methoxyphenyl 2-nitrobenzenesulfonate

  • Molecular FormulaC15H14N4O6S2
  • Average mass410.425 Da
  • Monoisotopic mass410.035461 Da
  • ChemSpider ID68776209

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Nitrobenzènesulfonate de 4-[(E)-(carbamothioylhydrazono)méthyl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
4-[(E)-(Carbamothioylhydrazono)methyl]-2-methoxyphenyl 2-nitrobenzenesulfonate [ACD/IUPAC Name]
4-[(E)-(Carbamothioylhydrazono)methyl]-2-methoxyphenyl-2-nitrobenzolsulfonat [German] [ACD/IUPAC Name]
Benzenesulfonic acid, 2-nitro-, 4-[(E)-[2-(aminothioxomethyl)hydrazinylidene]methyl]-2-methoxyphenyl ester [ACD/Index Name]
4-[(1E)-[(CARBAMOTHIOYLAMINO)IMINO]METHYL]-2-METHOXYPHENYL 2-NITROBENZENE-1-SULFONATE
4-[(1E)-[(CARBAMOTHIOYLAMINO)IMINO]METHYL]-2-METHOXYPHENYL 2-NITROBENZENESULFONATE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 638.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 340.0±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 99.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.95
ACD/KOC (pH 5.5): 487.47
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.89
ACD/KOC (pH 7.4): 486.80
Polar Surface Area: 189 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 62.1±7.0 dyne/cm
Molar Volume: 269.6±7.0 cm3

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