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Also known as: 85006-31-1, Methyl3-amino-4-methylthiophene-2-carboxylate, 3-amino-4-methylthiophene-2-carboxylic acid methyl ester, 2-thiophenecarboxylic acid, 3-amino-4-methyl-, methyl ester, 3-aminoarticaine, Methyl 3-amino-4-methyl-2-thenoate
Molecular Formula
C7H9NO2S
Molecular Weight
171.22  g/mol
InChI Key
YICRPERKKBDRSP-UHFFFAOYSA-N
FDA UNII
3LA24473AS

CAS 85006-31-1
1 2D Structure

CAS 85006-31-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 3-amino-4-methylthiophene-2-carboxylate
2.1.2 InChI
InChI=1S/C7H9NO2S/c1-4-3-11-6(5(4)8)7(9)10-2/h3H,8H2,1-2H3
2.1.3 InChI Key
YICRPERKKBDRSP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CSC(=C1N)C(=O)OC
2.2 Other Identifiers
2.2.1 UNII
3LA24473AS
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 85006-31-1

2. Methyl3-amino-4-methylthiophene-2-carboxylate

3. 3-amino-4-methylthiophene-2-carboxylic Acid Methyl Ester

4. 2-thiophenecarboxylic Acid, 3-amino-4-methyl-, Methyl Ester

5. 3-aminoarticaine

6. Methyl 3-amino-4-methyl-2-thenoate

7. 3-amino-4-methyl-2-thiophenecarboxylic Acid Methyl Ester

8. Mfcd00051822

9. 3la24473as

10. Methyl 3-amino-4-methyl-2-thiophenecarboxylate

11. Methyl-3-amino-4-methylthiophene-2-carboxylate

12. Methyl 3-amino-4-methylthiophene-2-carboxylate (3-aminoarticaine)

13. Unii-3la24473as

14. Einecs 285-060-8

15. Articaine Impurity I

16. Tricyclohexyltinchloride

17. Schembl163725

18. Yicrperkkbdrsp-uhfffaoysa-

19. Zinc82002

20. Dtxsid50234070

21. Geo-01745

22. Akos004912331

23. Ac-8360

24. Ccg-243249

25. Cs-w020012

26. Fs-1510

27. Sdccgmls-0066226.p001

28. Sy012772

29. Db-030945

30. Methyl 3-amino-4-methylthiophenecarboxylate

31. Am20110219

32. Ft-0614987

33. M1772

34. Methyl 3-amino-4-methylthiophene-2-carboxlate

35. 06m311

36. Methyl 4-methyl-3-aminothiophene-2-carboxylate

37. Methyl 3-amino-4-methyl-2-thiophene Carboxylate

38. 2-methoxycarbonyl-3-amino-4-methylthiophene

39. Q-100858

40. Methyl 3-amino-4-methylthiophene-2-carboxylate, 97%

41. Q27257520

42. Articaine Hydrochloride Impurity I [ep Impurity]

43. Methyl 3-amino-thiophene-2-carboxylic Acid Methyl Ester

44. 3-amino-4-methyl-2-thiophene Carboxylic Acid Methyl Ester

45. 3-amino-4-methyl-thiophene-2-carboxylic Acid Methyl Ester

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 171.22 g/mol
Molecular Formula C7H9NO2S
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass171.03539970 g/mol
Monoisotopic Mass171.03539970 g/mol
Topological Polar Surface Area80.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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