CAS 54955-39-4

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1 End Use APIs
7 Related Intermediates

Chemistry

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Also known as: 54955-39-4, 2-(2-thienyl)propionic acid, 2-thiophen-2-ylpropanoic acid, C56o0num8m, 2-tpa, 2-(thiophen-2-yl)propanoicacid

Molecular Formula

C₇H₈O₂S

Molecular Weight

156.20 g/mol

InChI Key

KTKWUKAYWFMQSO-UHFFFAOYSA-N

FDA UNII

C56O0NUM8M

1 2D Structure

CAS 54955-39-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-thiophen-2-ylpropanoic acid

2.1.2 InChI

InChI=1S/C7H8O2S/c1-5(7(8)9)6-3-2-4-10-6/h2-5H,1H3,(H,8,9)

2.1.3 InChI Key

KTKWUKAYWFMQSO-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

C56O0NUM8M

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-(2-thienyl)propionic Acid

2. 2-tpa

2.3.2 Depositor-Supplied Synonyms

1. 54955-39-4

2. 2-(2-thienyl)propionic Acid

3. 2-thiophen-2-ylpropanoic Acid

4. C56o0num8m

5. 2-tpa

6. 2-(thiophen-2-yl)propanoicacid

7. 2-thiopheneacetic Acid, Alpha-methyl-

8. Unii-c56o0num8m

9. 2-(2-thienyl)-propionic Acid

10. 2-(thien-2-yl)propanoic Acid

11. Schembl3559567

12. Alpha-(2-thienyl)propionic Acid

13. Dtxsid30970303

14. Ktkwukaywfmqso-uhfffaoysa-n

15. Alpha-methyl(2-thienyl)acetic Acid

16. 2-(2-thienyl)propanoic Acid

17. Akos010590740

18. At16728

19. Hs-3123

20. .alpha.-2-thienylpropionic Acid

21. 2-(thiophen-2-yl)propionic Acid

22. Db-346035

23. Cs-0217690

24. .alpha.-methyl-2-thiopheneacetic Acid

25. En300-81990

26. (2rs)-2-(thiophen-2-yl)propanoic Acid

27. 2-thiopheneacetic Acid, .alpha.-methyl-

28. Tiaprofenic Acid Impurity E [ep Impurity]

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₇H₈O₂S
Molecular Weight	156.20 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	65.5
Heavy Atom Count	10
Formal Charge	0
Complexity	136
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