CAS 64485-82-1

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Also known as: 64485-82-1, 60845-81-0, (z)-ethyl 2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetate, Ethyl 2-(2-aminothiazole-4-yl)-2-hydroxyiminoacetate, Ethyl (z)-2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetate, Ethyl (2z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate

Molecular Formula

C₇H₉N₃O₃S

Molecular Weight

215.23 g/mol

InChI Key

BTEPYCPXBCCSDL-YHYXMXQVSA-N

1 2D Structure

CAS 64485-82-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate

2.1.2 InChI

InChI=1S/C7H9N3O3S/c1-2-13-6(11)5(10-12)4-3-14-7(8)9-4/h3,12H,2H2,1H3,(H2,8,9)/b10-5-

2.1.3 InChI Key

BTEPYCPXBCCSDL-YHYXMXQVSA-N

2.1.4 Canonical SMILES

CCOC(=O)C(=NO)C1=CSC(=N1)N

2.1.5 Isomeric SMILES

CCOC(=O)/C(=N\O)/C1=CSC(=N1)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 64485-82-1

2. 60845-81-0

3. (z)-ethyl 2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetate

4. Ethyl 2-(2-aminothiazole-4-yl)-2-hydroxyiminoacetate

5. Ethyl (z)-2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetate

6. Ethyl (2z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate

7. Ethyl (z)-2-hydroxyimino-2-(2-aminothiazole-4-yl)acetate

8. (2-amino-thiazol-4-yl)-[(z)-hydroxyimino]-acetic Acid Ethyl Ester

9. Ethyl 2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetate

10. Einecs 262-468-4

11. Einecs 264-910-1

12. Ehata

13. 2-(2-aminothiazole-4-yl)-2-hydroxyiminoacetate

14. Schembl95685

15. Mls006011392

16. Ethyl (z)-2-amino-alpha-(hydroxyimino)thiazol-4-acetate

17. (e)-ethyl 2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetate

18. Dtxsid801215981

19. Mfcd00071531

20. Zinc96034863

21. Akos024306917

22. Am101077

23. Smr004703229

24. Cs-0151909

25. D70139

26. 485e821

27. A834769

28. A868876

29. 4-(2-aminothiazol-4-yl)-4-(hydroxyimino)acetic Ester

30. Ethyl 2-(2-aminothiazole-4-yl)-2-hydroxyimino-(z)-acetate

31. (z)-ethyl 2-(2-amino-4-thiazolyl)-2-(hydroxyimino)acetate

32. Ethyl (alphaz)-2-amino-alpha-(hydroxyimino)-4-thiazoleacetate

33. Ethyl (z)-2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetate

34. Ethyl 2-amino-alpha-(hydroxyimino)-4-thiazoleacetate, Predominantly Syn

2.3 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₇H₉N₃O₃S
Molecular Weight	215.23 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	215.03646233 g/mol
Monoisotopic Mass	215.03646233 g/mol
Topological Polar Surface Area	126 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	246
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1