-
Name
ETHYL 2-OXOTHIANE-3-CARBOXYLATE
- EINECS
- CAS No. 4547-45-9
- Density
- Solubility
- Melting Point
- Formula C8H12 O3 S
- Boiling Point
- Molecular Weight 188.247
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Malonicacid, (3-mercaptopropyl)-, d-(thiolactone), ethyl ester (7CI,8CI); Thiopyran-3-carboxylic acid,tetrahydro-2-oxo-, ethyl ester
- PSA 68.67000
- LogP 1.21930
Ethyl 2-oxothiane-3-carboxylate Chemical Properties
Molecular Structure of Ethyl 2-oxothiane-3-carboxylate (CAS No.4547-45-9):
Molecular Formula: C8H12O3S
Molecular Weight: 188.24
CAS No: 4547-45-9
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 68.67 Å2
Index of Refraction: 1.511
Molar Refractivity: 46.93 cm3
Molar Volume: 156.5 cm3
Surface Tension: 43.4 dyne/cm
Density: 1.202 g/cm3
Flash Point: 142.9 °C
Enthalpy of Vaporization: 54.01 kJ/mol
Boiling Point: 300 °C at 760 mmHg
Vapour Pressure: 0.00115 mmHg at 25°C
Systematic Name: Ethyl 2-oxotetrahydro-2H-thiopyran-3-carboxylate
InChI: InChI=1/C8H12O3S/c1-2-11-7(9)6-4-3-5-12-8(6)10/h6H,2-5H2,1H3
InChIKey: UBWCQIQHISJCTF-UHFFFAOYAO
Std. InChI: InChI=1S/C8H12O3S/c1-2-11-7(9)6-4-3-5-12-8(6)10/h6H,2-5H2,1H3
Std. InChIKey: UBWCQIQHISJCTF-UHFFFAOYSA-N
Product Categories: Heterocycles series
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