Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 21080-92-2, 3-thienylmalonic acid, 2-(thiophen-3-yl)malonic acid, 2-thiophen-3-ylpropanedioic acid, Propanedioic acid, 3-thienyl-, 3-thienylpropanedioic acid
Molecular Formula
C7H6O4S
Molecular Weight
186.19  g/mol
InChI Key
GCOOGCQWQFRJEK-UHFFFAOYSA-N
FDA UNII
KK6MPZ6HAH

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-thiophen-3-ylpropanedioic acid
2.1.2 InChI
InChI=1S/C7H6O4S/c8-6(9)5(7(10)11)4-1-2-12-3-4/h1-3,5H,(H,8,9)(H,10,11)
2.1.3 InChI Key
GCOOGCQWQFRJEK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CSC=C1C(C(=O)O)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
KK6MPZ6HAH
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 21080-92-2

2. 3-thienylmalonic Acid

3. 2-(thiophen-3-yl)malonic Acid

4. 2-thiophen-3-ylpropanedioic Acid

5. Propanedioic Acid, 3-thienyl-

6. 3-thienylpropanedioic Acid

7. (3-thienyl)malonic Acid

8. Thiophene-3-malonic Acid

9. 2-(thiophen-3-yl)propanedioic Acid

10. Kk6mpz6hah

11. Propanedioic Acid, 2-(3-thienyl)-

12. 2-(3-thienyl)malonic Acid

13. Chembl3360550

14. Mfcd00005469

15. 3-thiophene Malonic Acid

16. 3-thiophenemalonicacid

17. 3-thiophenemalonic

18. Unii-kk6mpz6hah

19. Bidd:gt0437

20. Schembl162736

21. 2-(3-thienyl)malonic Acid #

22. 3-thiophenemalonic Acid, 97%

23. 3-thiophenemalonic Acid, 98%

24. Dtxsid9066675

25. Gcoogcqwqfrjek-uhfffaoysa-

26. Zinc154883

27. Act02272

28. Bcp11989

29. Einecs 244-198-9

30. Bdbm50038338

31. Akos015856697

32. Ac-4339

33. As-11843

34. Sy015822

35. 3-thienylmalonic Acid [ep Impurity]

36. Ft-0616410

37. T1354

38. F11220

39. 080t922

40. A912337

41. Sr-01000944735

42. Sr-01000944735-1

43. W-107575

44. 5-(trifluoromethyl)benzo[b]thiophene-2-carboxylic?acid

45. 2-(thiophen-3-yl)malonic Acid;(3-thienyl)malonic Acid

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 186.19 g/mol
Molecular Formula C7H6O4S
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass185.99867984 g/mol
Monoisotopic Mass185.99867984 g/mol
Topological Polar Surface Area103 Ų
Heavy Atom Count12
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1