Aurore Life Sciences

CAS 16188-55-9

Chemistry, 1 End Use API, 35 Related Intermediates

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Also known as: 16188-55-9, 4-methylthiophenylacetic acid, 2-(4-(methylthio)phenyl)acetic acid, 2-(4-methylsulfanylphenyl)acetic acid, Benzeneacetic acid, 4-(methylthio)-, (4-methylsulfanylphenyl)acetic acid

Molecular Formula

C₉H₁₀O₂S

Molecular Weight

182.24 g/mol

InChI Key

AHMLFHMRRBJCRM-UHFFFAOYSA-N

1 2D Structure

CAS 16188-55-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-methylsulfanylphenyl)acetic acid

2.1.2 InChI

InChI=1S/C9H10O2S/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

2.1.3 InChI Key

AHMLFHMRRBJCRM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CSC1=CC=C(C=C1)CC(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 16188-55-9

2. 4-methylthiophenylacetic Acid

3. 2-(4-(methylthio)phenyl)acetic Acid

4. 2-(4-methylsulfanylphenyl)acetic Acid

5. Benzeneacetic Acid, 4-(methylthio)-

6. (4-methylsulfanylphenyl)acetic Acid

7. (4-methylsulfanyl-phenyl)-acetic Acid

8. 2-[4-(methylthio)phenyl]acetic Acid; 4-(methylthio)phenylacetic Acid; [p-(methylthio)phenyl]acetic Acid

9. Schembl46640

10. 4-(methylthio)benzeneacetic Acid

11. 4-(methylthio) Phenylacetic Acid

12. Amy2614

13. Dtxsid20407239

14. Zinc155934

15. Cs-b0762

16. 4-(methylmercapto)phenyl Acetic Acid

17. Geo-01963

18. Mfcd00192325

19. 4-(methylthio)phenylaceticacid

20. Akos000279298

21. 4-(methylthio)phenylacetic Acid, 99%

22. 2-[4-(methylsulfanyl)phenyl]acetic Acid

23. As-11895

24. Db-043503

25. A3592

26. Bb 0248983

27. Ft-0637332

28. M2874

29. [4-(methylsulfanyl)phenyl]acetic Acid

30. En300-79646

31. F11769

32. 188m559

33. J-009871

34. F2182-0137

35. Z1270443866

2.3 Create Date

2005-09-17

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀O₂S
Molecular Weight	182.24 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	182.04015073 g/mol
Monoisotopic Mass	182.04015073 g/mol
Topological Polar Surface Area	62.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	151
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

291756-76-8

End Use API

Etoricoxib

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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