CAS 138564-58-6

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Also known as: 138564-58-6, 2-amino-5-methylthiophene-3-carbonitrile, 2-amino-3-cyano-5-methylthiophene, 3-thiophenecarbonitrile, 2-amino-5-methyl-, 2-amino-5-methyl thiophene-3-carbonitrile, 2-amino-5-methyl-thiophene-3-carbonitrile

Molecular Formula

C₆H₆N₂S

Molecular Weight

138.19 g/mol

InChI Key

YGXADLPRHBRTPG-UHFFFAOYSA-N

1 2D Structure

CAS 138564-58-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-5-methylthiophene-3-carbonitrile

2.1.2 InChI

InChI=1S/C6H6N2S/c1-4-2-5(3-7)6(8)9-4/h2H,8H2,1H3

2.1.3 InChI Key

YGXADLPRHBRTPG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=C(S1)N)C#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 138564-58-6

2. 2-amino-5-methylthiophene-3-carbonitrile

3. 2-amino-3-cyano-5-methylthiophene

4. 3-thiophenecarbonitrile, 2-amino-5-methyl-

5. 2-amino-5-methyl Thiophene-3-carbonitrile

6. 2-amino-5-methyl-thiophene-3-carbonitrile

7. 2-amino-5-methylthiopene-3-carbonitrile

8. 2-amino-3-cyano-5-methyl Thiophene

9. Mfcd01626055

10. 2-amino-5-methylthiopehne-3-carbonitrile

11. 2-amino-5-methyl-3-cyanothiophene

12. Ec 604-082-4

13. Schembl474156

14. Zinc58199

15. Dtxsid40351023

16. 2-amino-3-cyano-5-methyl Thiophen

17. Bcp23019

18. Akos000111623

19. Ac-4589

20. Ccg-302518

21. Cs-w016489

22. Hy-w015773

23. Ps-3271

24. 2-amino-5-methylthiophene3-carbonitrile

25. Sy020869

26. 2-amino-5- Methylthiophene-3-carbonitrile

27. A2351

28. Am20080285

29. Ft-0601128

30. En300-50499

31. 2-amino-3-cyano-5-methylthiophene, Min. 98%

32. J-507961

33. 2-amino-5-methylthiophene-3-carbonitrile, Aldrichcpr

34. 473532-06-8

2.3 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₆H₆N₂S
Molecular Weight	138.19 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	138.02516937 g/mol
Monoisotopic Mass	138.02516937 g/mol
Topological Polar Surface Area	78 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	148
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