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CAS 179337-57-6
Also known as: 179337-57-6, 3-azetidinethiol, 1-(4,5-dihydro-2-thiazolyl)-, monohydrochloride, 1-(4,5-dihydro-2-thiazolyl)-3-azetidinethiol hydrochloride, 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-3-thiol;hydrochloride, 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol;chloride, 1-(4,5-dihydro-2-thiazolyl)-3-azetidinethiol hcl
Molecular Formula
C6H11ClN2S2
Molecular Weight
210.8  g/mol
InChI Key
WLQPQHGYHHHITD-UHFFFAOYSA-N

1 2D Structure

CAS 179337-57-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-3-thiol;hydrochloride
2.1.2 InChI
InChI=1S/C6H10N2S2.ClH/c9-5-3-8(4-5)6-7-1-2-10-6;/h5,9H,1-4H2;1H
2.1.3 InChI Key
WLQPQHGYHHHITD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CSC(=N1)N2CC(C2)S.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 179337-57-6

2. 3-azetidinethiol, 1-(4,5-dihydro-2-thiazolyl)-, Monohydrochloride

3. 1-(4,5-dihydro-2-thiazolyl)-3-azetidinethiol Hydrochloride

4. 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-3-thiol;hydrochloride

5. 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol;chloride

6. 1-(4,5-dihydro-2-thiazolyl)-3-azetidinethiol Hcl

7. Tebipenem Impurity 2

8. Schembl7818495

9. Dtxsid30475000

10. 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-3-thiol,hydrochloride

11. Amy40567

12. Mfcd18072489

13. Akos016003162

14. Ds-3684

15. Sb67390

16. Ac-26984

17. Db-065267

18. Cs-0068888

19. Ft-0697053

20. 3-mercapto-1-(1,3-thiazolin-2-yl)azetidine Hcl

21. 1-(4,5-dihydrothiazol-2-yl)azetidine-3-thiol Hcl

22. 1-(4,5-dihydrothiazol-2-yl)azetidine-3-thiolhydrochloride

23. 3-mercapto-1-(1,3-thiazolin-2-yl)azetidine Hydrochloride

24. 3-azetidinethiol, 1-(4,5-dihydro-2-thiazolyl)-, Hydrochloride (1:1)

25. 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-3-thiol--hydrogen Chloride (1/1)

2.3 Create Date
2007-01-03
3 Chemical and Physical Properties
Molecular Weight 210.8 g/mol
Molecular Formula C6H11ClN2S2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass210.0052184 g/mol
Monoisotopic Mass210.0052184 g/mol
Topological Polar Surface Area41.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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Digital Content Digital Content
179337-57-6
Tebipenem Pivoxil
Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) ...
Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include customized R&D as well as the production of small molecule pharmaceutical intermediates and Active Pharmaceutical Ingredients (APIs) for both international and domestic pharmaceutical firms. Our capabilities span from laboratory-scale kilograms to commercial ton-scale production. Additionally, we are committed to independent research and development, as well as the production and sales of high-end pharmaceutical intermediates and API products.
Jinan Tantu Chemicals

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