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CAS 16188-55-9 manufacturers and suppliers on PharmaCompass

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CAS 16188-55-9
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 Weight 182.24 g/mol
Molecular Formula C9H10O2S
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass182.04015073 g/mol
Monoisotopic Mass182.04015073 g/mol
Topological Polar Surface Area62.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag China
Digital Content Digital Content
URL Supplier Web Content
16188-55-9
Etoricoxib
Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manuf...
Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.
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