ChemSpider 2D Image | Ethyl 4-ethyl-5-methyl-2-[(sulfanylmethylene)amino]-3-thiophenecarboxylate | C11H15NO2S2

Ethyl 4-ethyl-5-methyl-2-[(sulfanylmethylene)amino]-3-thiophenecarboxylate

  • Molecular FormulaC11H15NO2S2
  • Average mass257.372 Da
  • Monoisotopic mass257.054413 Da
  • ChemSpider ID45383015

More details:

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

3-Thiophenecarboxylic acid, 4-ethyl-2-[(mercaptomethylene)amino]-5-methyl-, ethyl ester [ACD/Index Name]
4-Éthyl-5-méthyl-2-[(sulfanylméthylène)amino]-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-ethyl-5-methyl-2-[(sulfanylmethylene)amino]-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-4-ethyl-5-methyl-2-[(sulfanylmethylen)amino]-3-thiophencarboxylat [German] [ACD/IUPAC Name]
4-Ethyl-2-isothiocyanato-5-methyl-thiophene-3-carboxylic acid ethyl ester
588695-58-3 [RN]
Ethyl 4-ethyl-2-isothiocyanato-5-methyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate

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

MFCD03944637 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 389.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 189.5±30.7 °C
Index of Refraction: 1.586
Molar Refractivity: 70.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 4.67
ACD/KOC (pH 5.5): 23.56
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.65
Polar Surface Area: 106 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 38.7±7.0 dyne/cm
Molar Volume: 210.3±7.0 cm3

Click to predict properties on the Chemicalize site


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