4-Thiomorpholine acetic acid, ethyl ester supplier

Name
4-Thiomorpholine acetic acid, ethyl ester
EINECS
CAS No. 39981-80-1
Article Data7
CAS DataBase
Density 1.106 g/cm³
Solubility
Melting Point
Formula C₈H₁₅NO₂S
Boiling Point 271.2 °C at 760 mmHg
Molecular Weight 189.279
Flash Point 117.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl thiomorpholin-4-ylacetate;Ethyl 2-thiomorpholinoacetate;Ethyl 2-(1,4-thiazaperhydroin-4-yl)acetate;
PSA 54.84000
LogP 0.53620

4-Thiomorpholine acetic acid, ethyl ester Specification

The 4-Thiomorpholineaceticacid, ethyl ester with CAS registry number of 39981-80-1 is also known as Ethyl thiomorpholin-4-ylacetate. The systematic name is Ethyl 2-thiomorpholinoacetate. In addition, the formula is C₈H₁₅NO₂S and the molecular weight is 189.28.

Physical properties about 4-Thiomorpholineaceticacid, ethyl ester are: (1)ACD/LogP: 1.58; (2)ACD/LogD (pH 5.5): 1.3; (3)ACD/LogD (pH 7.4): 1.58; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 54.84Å²; (7)Index of Refraction: 1.502; (8)Molar Refractivity: 50.54 cm³; (9)Molar Volume: 171 cm³; (10)Polarizability: 20.03×10^-24cm³; (11)Surface Tension: 38.1 dyne/cm; (12)Density: 1.106 g/cm³; (13)Flash Point: 117.8 °C; (14)Enthalpy of Vaporization: 50.94 kJ/mol; (15)Boiling Point: 271.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00655 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(CN1CCSCC1)OCC
2. InChI: InChI=1/C8H15NO2S/c1-2-11-8(10)7-9-3-5-12-6-4-9/h2-7H2,1H3
3. InChIKey: OIOSZBXAWCXWPL-UHFFFAOYAZ
4. Std. InChI: InChI=1S/C8H15NO2S/c1-2-11-8(10)7-9-3-5-12-6-4-9/h2-7H2,1H3
5. Std. InChIKey: OIOSZBXAWCXWPL-UHFFFAOYSA-N

Product Name

4-Thiomorpholine acetic acid, ethyl ester

4-Thiomorpholine acetic acid, ethyl ester Specification

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