ChemSpider 2D Image | [(4-Oxo-2-azetidinyl)sulfanyl]acetic acid | C5H7NO3S

[(4-Oxo-2-azetidinyl)sulfanyl]acetic acid

  • Molecular FormulaC5H7NO3S
  • Average mass161.179 Da
  • Monoisotopic mass161.014664 Da
  • ChemSpider ID57430980

More details:

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

[(4-Oxo-2-azetidinyl)sulfanyl]acetic acid [ACD/IUPAC Name]
[(4-Oxo-2-azetidinyl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
2-[(4-oxoazetidin-2-yl)sulfanyl]acetic acid
31898-75-6 [RN]
Acetic acid, 2-[(4-oxo-2-azetidinyl)thio]- [ACD/Index Name]
Acide [(4-oxo-2-azétidinyl)sulfanyl]acétique [French] [ACD/IUPAC Name]
[(4-Oxoazetidin-2-yl)sulfanyl]acetic acid
2-((4-Oxoazetidin-2-yl)thio)acetic acid
ACETIC ACID, [(4-OXO-2-AZETIDINYL)THIO]-
MFCD20640780

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

Density: 1.5±0.1 g/cm3
Boiling Point: 494.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.4±6.0 kJ/mol
Flash Point: 252.7±27.3 °C
Index of Refraction: 1.597
Molar Refractivity: 36.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.71
ACD/LogD (pH 5.5): -2.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 107.2±5.0 cm3

Click to predict properties on the Chemicalize site


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