CAS 80756-85-0 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: 80756-85-0, S-2-benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate, 96smk1ex8x, (z)-s-2-benzothiazolyl-2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate, 2-(2-aminothiazol-4-yl)-s-(2-benzothiazoleyl)-(z)-2-methoxyiminothioacetate, S-(2-benzothiazolyl) (z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)thioacetate
Molecular Formula
C13H10N4O2S3
Molecular Weight
350.4  g/mol
InChI Key
COFDRZLHVALCDU-YVLHZVERSA-N
FDA UNII
96SMK1EX8X

CAS 80756-85-0
1 2D Structure

CAS 80756-85-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
S-(1,3-benzothiazol-2-yl) (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioate
2.1.2 InChI
InChI=1S/C13H10N4O2S3/c1-19-17-10(8-6-20-12(14)15-8)11(18)22-13-16-7-4-2-3-5-9(7)21-13/h2-6H,1H3,(H2,14,15)/b17-10-
2.1.3 InChI Key
COFDRZLHVALCDU-YVLHZVERSA-N
2.1.4 Canonical SMILES
CON=C(C1=CSC(=N1)N)C(=O)SC2=NC3=CC=CC=C3S2
2.1.5 Isomeric SMILES
CO/N=C(/C1=CSC(=N1)N)\C(=O)SC2=NC3=CC=CC=C3S2
2.2 Other Identifiers
2.2.1 UNII
96SMK1EX8X
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 80756-85-0

2. S-2-benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate

3. 96smk1ex8x

4. (z)-s-2-benzothiazolyl-2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate

5. 2-(2-aminothiazol-4-yl)-s-(2-benzothiazoleyl)-(z)-2-methoxyiminothioacetate

6. S-(2-benzothiazolyl) (z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)thioacetate

7. S-1,3-benzothiazol-2-yl (2z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate

8. S-1,3-benzothiazol-2-yl (2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)ethanethioate

9. Einecs 279-540-6

10. Unii-96smk1ex8x

11. Mfcd00071547

12. Ceftriaxone Impurity D

13. (2-mercaptobenzothiazolyl)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetate (syn)

14. S-2-benzothiazolyl (z)-2-amino-alpha-(methoxyimino)-4-thiazoleethanethioate

15. 4-thiazoleethanethioic Acid, 2-amino-alpha-(methoxyimino)-, S-2-benzothiazolyl Ester, (z)-

16. Chembl445426

17. Schembl5450326

18. Dtxsid001335840

19. Hms1608f18

20. Zinc2149439

21. Akos001606656

22. S-2-benzothiazolyl-2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate, (z)-

23. Ac-7144

24. S-(1,3-benzothiazol-2-yl) (2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioate

25. Ceftriaxone Sodium Impurity D [ip]

26. B3602

27. Ceftriaxone Sodium Impurity D [ep Impurity]

28. W-104225

29. Ceftriaxone Benzothiazolyloxime [usp Impurity]

30. Ceftriaxone Sodium Related Substance E [usp Impurity]

31. (z)-s-2-benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate

32. (z)-s-2-benzothiazolyl2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate

33. S-2-benzothiazolyl2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate

34. S-benzothiazol-2-yl (2z)-(2-aminothiazol-4-yl)(methoxyimino)thioacetate

35. S-benzothiazol-2-yl-(2z)-(2-aminothiazol-4-yl)(methoxyimino)thioacetate

36. (2-aminothiazol-4-yl)(methoxyimino)ethanethioic Acid S-(2-benzothiazolyl) Ester

37. (2-aminothiazol-4-yl)[(z)-methoxyimino]thioacetic Acid S-(2-benzothiazolyl) Ester

38. (z)-2-(methoxyimino)-2-(2-aminothiazol-4-yl)acetic Acid S-2-benzothiazole Ester

39. (z)-s-2-benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate 80756-85-0

40. 2-amino-.alpha.-(methoxyimino)-4-thiazoleethanethioic Acid S-2-benzothiazolyl Ester

41. 2-amino-alpha-(methoxyimino)-4-thiazoleethanethioic Acid S-2-benzothiazolyl Ester

42. S-(benzo[d]thiazol-2-yl) (z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

43. S-(benzothiazol-2-yl) (z)-(2-aminothiazol-4-yl)(methoxyimino)thioacetate

44. S-2-benzothiazolyl-2-amino-.alpha.-(methoxyimino)-4-thiazolethiolacetate

45. S-2-benzothiazolyl-2-amino-.alpha.-(methoxyimino)-4-thiazolethiolacetate, (z)-

46. S-benzothiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(syn-methoxyimino)thioacetate

47. (.alpha.z)-2-amino-.alpha.-(methoxyimino)-4-thiazoleethanethioic Acid S-2-benzothiazolyl Ester

48. 4-thiazoleethanethioic Acid, 2-amino-.alpha.-(methoxyimino)-, S-2-benzothiazolyl Ester, (.alpha.z)-

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 350.4 g/mol
Molecular Formula C13H10N4O2S3
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass349.99658910 g/mol
Monoisotopic Mass349.99658910 g/mol
Topological Polar Surface Area172 Ų
Heavy Atom Count22
Formal Charge0
Complexity451
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, 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