CAS 138564-59-7 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 138564-59-7, 5-methyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile, 3-cyano-5-methyl-2-(2-nitroanilino)thiophene, 5-methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile, 2-(2-nitroanilino)-5-methylthiophene-3-carbonitrile, 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile
Molecular Formula
C12H9N3O2S
Molecular Weight
259.29  g/mol
InChI Key
NPXUFPFFHANGDL-UHFFFAOYSA-N
FDA UNII
J7X181M78Y

CAS 138564-59-7
1 2D Structure

CAS 138564-59-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile
2.1.2 InChI
InChI=1S/C12H9N3O2S/c1-8-6-9(7-13)12(18-8)14-10-4-2-3-5-11(10)15(16)17/h2-6,14H,1H3
2.1.3 InChI Key
NPXUFPFFHANGDL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=C(S1)NC2=CC=CC=C2[N+](=O)[O-])C#N
2.2 Other Identifiers
2.2.1 UNII
J7X181M78Y
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 5-methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile

2. Mnpatcn

3. Roy Thiophenecarbonitrile

2.3.2 Depositor-Supplied Synonyms

1. 138564-59-7

2. 5-methyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile

3. 3-cyano-5-methyl-2-(2-nitroanilino)thiophene

4. 5-methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile

5. 2-(2-nitroanilino)-5-methylthiophene-3-carbonitrile

6. 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile

7. 5-methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile

8. Olanzapine Related Compound A

9. 3-thiophenecarbonitrile, 5-methyl-2-[(2-nitrophenyl)amino]-

10. J7x181m78y

11. Mfcd06408054

12. Nsc700023

13. Mnpatcn

14. 3-thiophenecarbonitrile, 5-methyl-2-((2-nitrophenyl)amino)-

15. Roy

16. 2-(2-nitroanilino)-5-methyl-3-thiophenecarbonitrile

17. 2-{2-nitroanilino}-5-methyl-3-thiophenecarbonitrile

18. Unii-j7x181m78y

19. 2-(2-nitroanilino)-5-methyl-thiophene-3-carbonitrile

20. 5-methyl-2-(2-nitrophenylamino)thiophene-3-carbonitrile

21. Ec 421-300-1

22. Mls006010893

23. Schembl725098

24. Amy284

25. 5-methyl-2-(2-nitrophenylamino)-3-thiophenecarbonitrile

26. Chembl1990114

27. Dtxsid40160713

28. Bcp16531

29. Zinc4101102

30. Akos015899901

31. Ac-1687

32. Cs-w010154

33. Nsc-700023

34. As-11429

35. Nci60_035882

36. Smr002530034

37. Sy007799

38. Db-042432

39. Olanzapine Impurity A [ep Impurity]

40. Ft-0643289

41. M2138

42. F16691

43. Olanzapine Related Compound A [usp-rs]

44. 564c597

45. A807401

46. Ar-438/43237645

47. Olanzapine Related Compound A [usp Impurity]

48. 5-methyl-2-(2-nitroanilino)-3-thiophenecarbonitrile

49. Q27281324

50. B0067-185262

51. 2-(2-nitroanilino)-5-methyl Thiophene-3-carbonitrile

52. 2-(2-(hydroxy(oxido)amino)anilino)-5-methyl-3-thiophenecarbonitrile

53. 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile;5-methyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 259.29 g/mol
Molecular Formula C12H9N3O2S
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass259.04154771 g/mol
Monoisotopic Mass259.04154771 g/mol
Topological Polar Surface Area110 Ų
Heavy Atom Count18
Formal Charge0
Complexity362
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

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more

MARKET PLACE

Do you need sourcing support? Ask us
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty