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028E913
Also known as: 86028-91-3, Ethyl l-thiazolidine-4-carboxylate hydrochloride, Ethyl l-thiazolidine-4-carboxylate hcl, Ethyl (4r)-1,3-thiazolidine-4-carboxylate;hydrochloride, Ethyl (4r)-1,3-thiazolidine-4-carboxylate,hydrochloride, Dtxsid30670013
Molecular Formula
C6H12ClNO2S
Molecular Weight
197.68  g/mol
InChI Key
SQRLNYSSTHJCIU-JEDNCBNOSA-N

1 2D Structure

028E913

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride
2.1.2 InChI
InChI=1S/C6H11NO2S.ClH/c1-2-9-6(8)5-3-10-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1
2.1.3 InChI Key
SQRLNYSSTHJCIU-JEDNCBNOSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1CSCN1.Cl
2.1.5 Isomeric SMILES
CCOC(=O)[C@@H]1CSCN1.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 86028-91-3

2. Ethyl L-thiazolidine-4-carboxylate Hydrochloride

3. Ethyl L-thiazolidine-4-carboxylate Hcl

4. Ethyl (4r)-1,3-thiazolidine-4-carboxylate;hydrochloride

5. Ethyl (4r)-1,3-thiazolidine-4-carboxylate,hydrochloride

6. Dtxsid30670013

7. Mfcd09031280

8. Akos015963343

9. Ac-3494

10. As-15141

11. Ds-018596

12. Cs-0043107

13. F17226

14. (r)-ethylthiazolidine-4-carboxylatehydrochloride

15. 028e913

16. A841531

17. Ethyl (4r)-thiazolidine-4-carboxylate Hydrochloride

18. (r)-ethyl Thiazolidine-4-carboxylate Hydrochloride (h-l-thz-oet.hcl)

19. Ethyl (4r)-1,3-thiazolidine-4-carboxylate--hydrogen Chloride (1/1)

2.3 Create Date
2010-05-14
3 Chemical and Physical Properties
Molecular Weight 197.68 g/mol
Molecular Formula C6H12ClNO2S
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass197.0277275 g/mol
Monoisotopic Mass197.0277275 g/mol
Topological Polar Surface Area63.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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