ChemSpider 2D Image | Ethyl 5-({[2-chloro-5-(4-morpholinylsulfonyl)phenyl]carbamothioyl}amino)-3-methyl-2-thiophenecarboxylate | C19H22ClN3O5S3

Ethyl 5-({[2-chloro-5-(4-morpholinylsulfonyl)phenyl]carbamothioyl}amino)-3-methyl-2-thiophenecarboxylate

  • Molecular FormulaC19H22ClN3O5S3
  • Average mass504.043 Da
  • Monoisotopic mass503.041016 Da
  • ChemSpider ID3141495

More details:

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

2-Thiophenecarboxylic acid, 5-[[[[2-chloro-5-(4-morpholinylsulfonyl)phenyl]amino]thioxomethyl]amino]-3-methyl-, ethyl ester [ACD/Index Name]
5-({[2-Chloro-5-(4-morpholinylsulfonyl)phényl]carbamothioyl}amino)-3-méthyl-2-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-({[2-chloro-5-(4-morpholinylsulfonyl)phenyl]carbamothioyl}amino)-3-methyl-2-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-5-({[2-chlor-5-(4-morpholinylsulfonyl)phenyl]carbamothioyl}amino)-3-methyl-2-thiophencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 633.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.0±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 124.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 332.45
ACD/KOC (pH 5.5): 2221.55
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 332.26
ACD/KOC (pH 7.4): 2220.25
Polar Surface Area: 166 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 72.3±3.0 dyne/cm
Molar Volume: 336.2±3.0 cm3

Click to predict properties on the Chemicalize site


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