ChemSpider 2D Image | (3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-2-thioxo-1-azetidinesulfonic acid | C8H14N2O5S2

(3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-2-thioxo-1-azetidinesulfonic acid

  • Molecular FormulaC8H14N2O5S2
  • Average mass282.337 Da
  • Monoisotopic mass282.034424 Da
  • ChemSpider ID61504908
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-2-thioxo-1-azetidinesulfonic acid [ACD/IUPAC Name]
(3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-2-thioxo-1-azetidinsulfonsäure [German] [ACD/IUPAC Name]
1-Azetidinesulfonic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-thioxo-, (3S)- [ACD/Index Name]
Acide (3S)-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-2-thioxo-1-azétidinesulfonique [French] [ACD/IUPAC Name]
1932240-87-3 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 63.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -4.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 183.6±5.0 cm3

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