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

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

  • Molecular FormulaC13H12N2O4S2
  • Average mass324.375 Da
  • Monoisotopic mass324.023834 Da
  • ChemSpider ID21801274

More details:

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

1142207-13-3 [RN]
4-methyl-3-[2-(4-oxo-2-sulfanyl-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid
4-methyl-3-[2-(4-oxo-2-sulfanyl-5H-1,3-thiazol-5-yl)acetamido]benzoic acid
4-Methyl-3-{[(4-oxo-2-thioxo-1,3-thiazolidin-5-yl)acetyl]amino}benzoesäure [German] [ACD/IUPAC Name]
4-Methyl-3-{[(4-oxo-2-thioxo-1,3-thiazolidin-5-yl)acetyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 4-méthyl-3-{[2-(4-oxo-2-thioxo-1,3-thiazolidin-5-yl)acétyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-methyl-3-[[2-(4-oxo-2-thioxo-5-thiazolidinyl)acetyl]amino]- [ACD/Index Name]
3-(((2-MERCAPTO-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-5-YL)ACETYL)AMINO)-4-METHYLBENZOIC ACID
3-(2-(2-mercapto-4-oxo-4,5-dihydrothiazol-5-yl)acetamido)-4-methylbenzoic acid
3-{[(2-Mercapto-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetyl]amino}-4-methylbenzoic acid
More...

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.726
Molar Refractivity: 81.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): -1.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 205.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement