ChemSpider 2D Image | 2-(3,5-Dioxo-1,2,4-triazolidin-4-yl)-4-(methylsulfonyl)butanoic acid | C7H11N3O6S

2-(3,5-Dioxo-1,2,4-triazolidin-4-yl)-4-(methylsulfonyl)butanoic acid

  • Molecular FormulaC7H11N3O6S
  • Average mass265.244 Da
  • Monoisotopic mass265.036865 Da
  • ChemSpider ID55307743

More details:

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

1,2,4-Triazolidine-4-acetic acid, α-[2-(methylsulfonyl)ethyl]-3,5-dioxo- [ACD/Index Name]
2-(3,5-Dioxo-1,2,4-triazolidin-4-yl)-4-(methylsulfonyl)butanoic acid [ACD/IUPAC Name]
2-(3,5-Dioxo-1,2,4-triazolidin-4-yl)-4-(methylsulfonyl)butansäure [German] [ACD/IUPAC Name]
Acide 2-(3,5-dioxo-1,2,4-triazolidin-4-yl)-4-(méthylsulfonyl)butanoïque [French] [ACD/IUPAC Name]

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: 1.569
Molar Refractivity: 54.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.53
ACD/LogD (pH 5.5): -3.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 165.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement