ChemSpider 2D Image | methyl 2-[2-(4-oxo-2-sulfanyl-5H-1,3-thiazol-5-yl)acetamido]benzoate | C13H12N2O4S2

methyl 2-[2-(4-oxo-2-sulfanyl-5H-1,3-thiazol-5-yl)acetamido]benzoate

  • Molecular FormulaC13H12N2O4S2
  • Average mass324.375 Da
  • Monoisotopic mass324.023834 Da
  • ChemSpider ID21801255

More details:

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

1142206-77-6 [RN]
2-{[2-(4-Oxo-2-thioxo-1,3-thiazolidin-5-yl)acétyl]amino}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-(4-oxo-2-thioxo-5-thiazolidinyl)acetyl]amino]-, methyl ester [ACD/Index Name]
methyl 2-[2-(4-oxo-2-sulfanyl-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoate
methyl 2-[2-(4-oxo-2-sulfanyl-5H-1,3-thiazol-5-yl)acetamido]benzoate
Methyl 2-{[(4-oxo-2-thioxo-1,3-thiazolidin-5-yl)acetyl]amino}benzoate [ACD/IUPAC Name]
Methyl-2-{[(4-oxo-2-thioxo-1,3-thiazolidin-5-yl)acetyl]amino}benzoat [German] [ACD/IUPAC Name]
methyl 2-(2-(2-mercapto-4-oxo-4,5-dihydrothiazol-5-yl)acetamido)benzoate
methyl 2-(2-(4-oxo-2-thioxothiazolidin-5-yl)acetamido)benzoate
methyl 2-[[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetyl]amino]benzoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.692
Molar Refractivity: 82.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 215.0±7.0 cm3

Click to predict properties on the Chemicalize site


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