ChemSpider 2D Image | 3-{[5-({2-[(Ethoxycarbonyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazolidin-2-yl]sulfanyl}propanoic acid | C10H17N3O5S3

3-{[5-({2-[(Ethoxycarbonyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazolidin-2-yl]sulfanyl}propanoic acid

  • Molecular FormulaC10H17N3O5S3
  • Average mass355.454 Da
  • Monoisotopic mass355.033020 Da
  • ChemSpider ID113504664

More details:

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

3-{[5-({2-[(Ethoxycarbonyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazolidin-2-yl]sulfanyl}propanoic acid [ACD/IUPAC Name]
3-{[5-({2-[(Ethoxycarbonyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazolidin-2-yl]sulfanyl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{[5-({2-[(éthoxycarbonyl)amino]-2-oxoéthyl}sulfanyl)-1,3,4-thiadiazolidin-2-yl]sulfanyl}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[5-[[2-[(ethoxycarbonyl)amino]-2-oxoethyl]thio]-1,3,4-thiadiazolidin-2-yl]thio]- [ACD/Index Name]

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: 1.638
Molar Refractivity: 84.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.49
ACD/LogD (pH 7.4): -2.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 193 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 73.4±5.0 dyne/cm
Molar Volume: 236.3±5.0 cm3

Click to predict properties on the Chemicalize site


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