ChemSpider 2D Image | 4-Ethyl 2-methyl 3-amino-5-(methylsulfanyl)-2,4-thiophenedicarboxylate | C10H13NO4S2

4-Ethyl 2-methyl 3-amino-5-(methylsulfanyl)-2,4-thiophenedicarboxylate

  • Molecular FormulaC10H13NO4S2
  • Average mass275.345 Da
  • Monoisotopic mass275.028595 Da
  • ChemSpider ID24790140

More details:

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

2,4-Thiophenedicarboxylic acid, 3-amino-5-(methylthio)-, 4-ethyl 2-methyl ester [ACD/Index Name]
3-Amino-5-(méthylsulfanyl)-2,4-thiophènedicarboxylate de 4-éthyle et de 2-méthyle [French] [ACD/IUPAC Name]
4-Ethyl 2-methyl 3-amino-5-(methylsulfanyl)-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
4-Ethyl-2-methyl-3-amino-5-(methylsulfanyl)-2,4-thiophendicarboxylat [German] [ACD/IUPAC Name]
1255777-76-4 [RN]
3-Amino-5-methylsulfanyl-thiophene-2,4-dicarboxylic acid 4-ethyl ester 2-methyl ester
4-ethyl 2-methyl 3-amino-5-(methylsulfanyl)thiophene-2,4-dicarboxylate
MFCD17780308 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 429.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 213.7±28.7 °C
Index of Refraction: 1.589
Molar Refractivity: 68.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 296.93
ACD/KOC (pH 5.5): 2048.96
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 296.93
ACD/KOC (pH 7.4): 2048.96
Polar Surface Area: 132 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 201.8±5.0 cm3

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