- 4-Thiomorpholine acetic acid
- 4-Thiomorpholine acetic acid, ethyl ester
- 4-Thiomorpholineaceticacid, 1,1-dioxide
- 4-Thiomorpholineaceticacid, a-(phenylmethyl)-, 1,1-dioxide
- 4-Thiomorpholineacetonitrile
- 4-Thiomorpholineethanamine
- 4-Thiomorpholineethanamine,1,1-dioxide
- 4-Thiomorpholineethanol,1,1-dioxide
- 4-Thiomorpholinepropanamine
- 4-Thiomorpholinepropanoicacid, 1,1-dioxide
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Cas Database |
| Name |
4-Thiomorpholine acetic acid, ethyl ester |
EINECS | N/A |
| CAS No. | 39981-80-1 | Density | 1.106 g/cm3 |
| PSA | 54.84000 | LogP | 0.53620 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H15NO2S | Boiling Point | 271.2 °C at 760 mmHg |
| Molecular Weight | 189.279 | Flash Point | 117.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ethyl thiomorpholin-4-ylacetate;Ethyl 2-thiomorpholinoacetate;Ethyl 2-(1,4-thiazaperhydroin-4-yl)acetate; |
Article Data | 7 |
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
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