ChemSpider 2D Image | 5-Chloro-4-methyl-2-sulfamoylphenyl 4-methyl-N-[(4-nitrophenyl)sulfonyl]benzenecarbohydrazonothioate | C21H19ClN4O6S3

5-Chloro-4-methyl-2-sulfamoylphenyl 4-methyl-N-[(4-nitrophenyl)sulfonyl]benzenecarbohydrazonothioate

  • Molecular FormulaC21H19ClN4O6S3
  • Average mass555.047 Da
  • Monoisotopic mass554.015503 Da
  • ChemSpider ID32763474

  • Double-bond stereo - Double-bond stereo

More details:

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

4-Méthyl-N-[(4-nitrophényl)sulfonyl]benzènecarbohydrazonothioate de 5-chloro-4-méthyl-2-sulfamoylphényle [French] [ACD/IUPAC Name]
5-Chlor-4-methyl-2-sulfamoylphenyl-4-methyl-N-[(4-nitrophenyl)sulfonyl]benzolcarbohydrazonothioat [German] [ACD/IUPAC Name]
5-Chloro-4-methyl-2-sulfamoylphenyl 4-methyl-N-[(4-nitrophenyl)sulfonyl]benzenecarbohydrazonothioate [ACD/IUPAC Name]
Benzenecarbohydrazonothioic acid, 4-methyl-N-[(4-nitrophenyl)sulfonyl]-, 2-(aminosulfonyl)-5-chloro-4-methylphenyl ester [ACD/Index Name]
S-(5-Chloro-4-methyl-2-sulfamoylphenyl)-N-(4-nitrophenylsulf onyl)-4-methyl-benzothiohydrazonate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 754.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 410.3±35.7 °C
Index of Refraction: 1.688
Molar Refractivity: 136.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 435.66
ACD/KOC (pH 5.5): 1695.25
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 28.52
ACD/KOC (pH 7.4): 110.98
Polar Surface Area: 207 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 64.9±7.0 dyne/cm
Molar Volume: 358.9±7.0 cm3

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