CAS 1918-77-0

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Also known as: 1918-77-0, 2-thienylacetic acid, 2-(thiophen-2-yl)acetic acid, Thiopheneacetic acid, Thiophene-2-acetic acid, 2-(2-thienyl)acetic acid

Molecular Formula

C₆H₆O₂S

Molecular Weight

142.18 g/mol

InChI Key

SMJRBWINMFUUDS-UHFFFAOYSA-N

FDA UNII

A8S4F49X7A

1 2D Structure

CAS 1918-77-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-thiophen-2-ylacetic acid

2.1.2 InChI

InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)

2.1.3 InChI Key

SMJRBWINMFUUDS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CSC(=C1)CC(=O)O

2.2 Other Identifiers

2.2.1 UNII

A8S4F49X7A

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-thienylacetic Acid

2.3.2 Depositor-Supplied Synonyms

1. 1918-77-0

2. 2-thienylacetic Acid

3. 2-(thiophen-2-yl)acetic Acid

4. Thiopheneacetic Acid

5. Thiophene-2-acetic Acid

6. 2-(2-thienyl)acetic Acid

7. 2-thiophen-2-ylacetic Acid

8. Thiophen-2-ylacetic Acid

9. Mfcd00005458

10. (thien-2-yl)acetic Acid

11. A8s4f49x7a

12. Chebi:45807

13. 2-thiophene Acetic Acid

14. Thienylactic Acid

15. Thienylacetic Acid

16. 2-thiopheneacetic

17. Thiol Acetic Acid

18. 1ajq

19. Einecs 217-639-8

20. Thiophene Acetic Acid

21. 2-thienyl-acetic Acid

22. 2-carboxymethylthiofuran

23. 2-thiophenyl Acetic Acid

24. (thien-2-yl)acetic Aci

25. Thiophen-2-yl Acetic Acid

26. Thiophen-2-yl-acetic Acid

27. Epitope Id:116203

28. Unii-a8s4f49x7a

29. 2-(2-thienyl) Acetic Acid

30. 2-(thiophen-2-yl)aceticacid

31. Bidd:gt0423

32. Schembl621289

33. 2-thiopheneacetic Acid, 98%

34. Thiophen-2-acetic Acid

35. Dtxsid5062059

36. Zinc157069

37. Bcp30947

38. Stl164313

39. Akos000118998

40. Cs-w001142

41. Pb27359

42. Ps-5326

43. 69492-74-6

44. Db-044778

45. Am20090121

46. Ft-0633911

47. T0217

48. 18t770

49. C02595

50. P10011

51. Q-100229

52. Q27104558

53. F2191-0032

54. 2-thienylacetic Acid;2-(thiophen-2-yl)acetic Acid;thiopheneacetic Acid

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₆H₆O₂S
Molecular Weight	142.18 g/mol
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	142.00885060 g/mol
Monoisotopic Mass	142.00885060 g/mol
Topological Polar Surface Area	65.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	114
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