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ACTIVE PHARMA INGREDIENTS

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Chemistry

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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

Ethyl L-Thiazolidine-4-Carboxylate Hydrochloride

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 Formula	C₆H₁₂ClNO₂S
Molecular Weight	197.68 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	197.0277275 g/mol
Monoisotopic Mass	197.0277275 g/mol
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	129
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2