ChemSpider 2D Image | 2-({[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)terephthalic acid | C13H11N3O5S2

2-({[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)terephthalic acid

  • Molecular FormulaC13H11N3O5S2
  • Average mass353.374 Da
  • Monoisotopic mass353.014008 Da
  • ChemSpider ID24428176

More details:






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

1,4-Benzenedicarboxylic acid, 2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]- [ACD/Index Name]
2-({[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)terephthalic acid [ACD/IUPAC Name]
2-({[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)terephthalsäure [German] [ACD/IUPAC Name]
Acide 2-({2-[(5-méthyl-1,3,4-thiadiazol-2-yl)sulfanyl]acétyl}amino)téréphtalique [French] [ACD/IUPAC Name]
2-[[2-[(5-METHYL-1,3,4-THIADIAZOL-2-YL)SULFANYL]ACETYL]AMINO]TEREPHTHALIC ACID

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.707
Molar Refractivity: 83.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 100.8±5.0 dyne/cm
Molar Volume: 214.1±5.0 cm3

Click to predict properties on the Chemicalize site






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