CAS 84611-22-3

Chemistry, 1 End Use API, 1 Related Intermediates

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Also known as: 84611-22-3, 2-chloro-n-(2-oxotetrahydrothiophen-3-yl)acetamide, 2-chloro-n-(2-oxo-tetrahydro-thiophen-3-yl)-acetamide, N-chloroacetyl-dl-homocysteine thiolactone, 3-chloroacetamido-2-oxo-tetrahydrothiophene, 2-chloro-n-(2-oxotetrahydro-3-thienyl)acetamide

Molecular Formula

C₆H₈ClNO₂S

Molecular Weight

193.65 g/mol

InChI Key

OSXVVUUZQNPXHC-UHFFFAOYSA-N

1 2D Structure

CAS 84611-22-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-N-(2-oxothiolan-3-yl)acetamide

2.1.2 InChI

InChI=1S/C6H8ClNO2S/c7-3-5(9)8-4-1-2-11-6(4)10/h4H,1-3H2,(H,8,9)

2.1.3 InChI Key

OSXVVUUZQNPXHC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CSC(=O)C1NC(=O)CCl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 84611-22-3

2. 2-chloro-n-(2-oxotetrahydrothiophen-3-yl)acetamide

3. 2-chloro-n-(2-oxo-tetrahydro-thiophen-3-yl)-acetamide

4. N-chloroacetyl-dl-homocysteine Thiolactone

5. 3-chloroacetamido-2-oxo-tetrahydrothiophene

6. 2-chloro-n-(2-oxotetrahydro-3-thienyl)acetamide

7. N-chloroacetyl Dl-homocysteine Thiolactone

8. 2-chloro-n-(tetrahydro-2-oxo-3-thienyl)acetamide

9. 3-(chloroacetamido)dihydro-2(3h)-thiophenone

10. N-chloroacetyl-dl-homocysteinethiolactone

11. Schembl11100048

12. Dtxsid90424610

13. Albb-023422

14. Mfcd07393747

15. Stk792547

16. Akos000302747

17. Akos016162044

18. Ls-07367

19. Cs-0249922

20. Ft-0664540

21. En300-46863

22. A24908

23. Acetamide, 2-chloro-n-(tetrahydro-2-oxo-3-thienyl)-

24. 2-chloro-n~1~-(2-oxotetrahydro-3-thiophenyl)acetamide

25. Z2643958892

2.3 Create Date

2006-04-30

3 Chemical and Physical Properties

Molecular Formula	C₆H₈ClNO₂S
Molecular Weight	193.65 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	192.9964274 g/mol
Monoisotopic Mass	192.9964274 g/mol
Topological Polar Surface Area	71.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	185
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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N-Chloroacetyl-DL-Homocysteien thiolactone

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CAS Number

84611-22-3

End Use API

Erdosteine

About the Company

Aurore Life Sciences is a pure-play API manufacturer with a diverse portfolio of capabilities in deliveri...

Aurore Life Sciences is a pure-play API manufacturer with a diverse portfolio of capabilities in delivering efficiencies to generic players globally. Founded in 2017 by a team with vast experience across the pharmaceutical value chain, the company is on a mission to become the most preferred partner for pharmaceuticals. At Aurore, we aim to push the boundaries to manufacture and deliver high quality products that can be relied upon by both customers and regulators. Our thrust on rapidly adding capabilities have led us to acquire, integrate and expand our reach across the geographies.

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