ChemSpider 2D Image | 2-[(3,4-Dihydroxy-1-pyrrolidinyl)sulfonyl]ethanethioamide | C6H12N2O4S2

2-[(3,4-Dihydroxy-1-pyrrolidinyl)sulfonyl]ethanethioamide

  • Molecular FormulaC6H12N2O4S2
  • Average mass240.301 Da
  • Monoisotopic mass240.023849 Da
  • ChemSpider ID53158929

More details:

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

2-[(3,4-Dihydroxy-1-pyrrolidinyl)sulfonyl]ethanethioamide [ACD/IUPAC Name]
2-[(3,4-Dihydroxy-1-pyrrolidinyl)sulfonyl]éthanethioamide [French] [ACD/IUPAC Name]
2-[(3,4-Dihydroxy-1-pyrrolidinyl)sulfonyl]ethanthioamid [German] [ACD/IUPAC Name]
Ethanethioamide, 2-[(3,4-dihydroxy-1-pyrrolidinyl)sulfonyl]- [ACD/Index Name]
1691749-83-3 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 464.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.7±6.0 kJ/mol
Flash Point: 234.8±31.5 °C
Index of Refraction: 1.693
Molar Refractivity: 54.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.35
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.01
ACD/LogD (pH 7.4): -1.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.01
Polar Surface Area: 144 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 105.4±5.0 dyne/cm
Molar Volume: 141.4±5.0 cm3

Click to predict properties on the Chemicalize site


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