- Thiomorpholine-3-carboxylic acid
- Thiomorpholine-3-carboxylic acid ethyl ester hydrochloride
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| Name |
Thiomorpholine-3-carboxylic acid ethyl ester hydrochloride |
EINECS | N/A |
| CAS No. | 159381-07-4 | Density | N/A |
| PSA | 63.63000 | LogP | 1.38530 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H13NO2S.HCl | Boiling Point | 297.5 °C at 760 mmHg |
| Molecular Weight | 211.713 | Flash Point | 133.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes |
 C:; |
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| Molecular Structure |
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Hazard Symbols |
 C
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| Synonyms |
3-Thiomorpholinecarboxylicacid, ethyl ester, hydrochloride (9CI);3-Thiomorpholinecarboxylic acid, ethylester, hydrochloride, (?à)-;ethyl thiomorpholine-3-carboxylate hydrochloride;3-Thiomorpholinecarboxylic acid, ethyl ester, hydrochloride (1:1);Ethyl thiomorpholine-3-carboxylate hydrochloride (1:1);Ethylthiomorpholin-3-carboxylathydrochlorid(1:1);ethyl thiomorpholine-3-carboxylate hydrochloride;Thiomorpholine-3-carboxylic acid ethyl ester;Thiomorpholine-3-carboxylic acid ethyl ester hydrochloride; |
Thiomorpholine-3-carboxylic acid ethyl ester hydrochloride Specification
The Thiomorpholine-3-carboxylic acid ethyl ester hydrochloride, with the CAS registry number 159381-07-4, has the systematic name and IUPAC name of ethyl thiomorpholine-3-carboxylate hydrochloride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H13NO2S.HCl.
The characteristics of Thiomorpholine-3-carboxylic acid ethyl ester hydrochloride are as followings: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 42; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 63.63 Å2 ; (12)Flash Point: 133.7 °C; (13)Enthalpy of Vaporization: 54.81 kJ/mol; (14)Boiling Point: 297.5 °C at 760 mmHg; (15)Vapour Pressure: 0.00101 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.O=C(OCC)C1CSCCN1
(2)InChI: InChI=1/C7H13NO2S.ClH/c1-2-10-7(9)6-5-11-4-3-8-6;/h6,8H,2-5H2,1H3;1H
(3)InChIKey: QQRCEZBURAQLBQ-UHFFFAOYAN
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