ChemSpider 2D Image | Ethyl (2-amino-1,3-oxathiol-5-yl)(oxo)acetate | C7H9NO4S

Ethyl (2-amino-1,3-oxathiol-5-yl)(oxo)acetate

  • Molecular FormulaC7H9NO4S
  • Average mass203.216 Da
  • Monoisotopic mass203.025223 Da
  • ChemSpider ID26403982

More details:

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

(2-Amino-1,3-oxathiol-5-yl)(oxo)acétate d'éthyle [French] [ACD/IUPAC Name]
1,3-Oxathiole-5-acetic acid, 2-amino-α-oxo-, ethyl ester [ACD/Index Name]
1351479-20-3 [RN]
Ethyl (2-amino-1,3-oxathiol-5-yl)(oxo)acetate [ACD/IUPAC Name]
Ethyl-(2-amino-1,3-oxathiol-5-yl)(oxo)acetat [German] [ACD/IUPAC Name]
64987-08-2 [RN]
Ethyl 2-(2-aminothiazol-4-yl)-2-oxoacetate
Ethyl 2-(2-aminothiozole-4-yl)glyoxylate
MFCD00010414 [MDL number]

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

CCRIS 4693 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 314.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.6±3.0 kJ/mol
Flash Point: 144.1±27.9 °C
Index of Refraction: 1.558
Molar Refractivity: 47.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.20
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.32
Polar Surface Area: 104 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 145.8±3.0 cm3

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