Carbonic Acid,4-Nitrophenyl-5-thiazolyl methyl ester(NCT)

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Also known as: 144163-97-3, ((5-thiazolyl)methyl)-(4-nitrophenyl)carbonate, Thiazolylmethyl-4-nitrophenylcarbonate, (4-nitrophenyl) 1,3-thiazol-5-ylmethyl carbonate, Carbonic acid 4-nitrophenyl 5-thiazolylmethyl ester, Carbonic acid, 4-nitrophenyl 5-thiazolylmethyl ester

Molecular Formula

C₁₁H₈N₂O₅S

Molecular Weight

280.26 g/mol

InChI Key

FTEKBGGQRNJIPQ-UHFFFAOYSA-N

1 2D Structure

CAS 144163-97-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-nitrophenyl) 1,3-thiazol-5-ylmethyl carbonate

2.1.2 InChI

InChI=1S/C11H8N2O5S/c14-11(17-6-10-5-12-7-19-10)18-9-3-1-8(2-4-9)13(15)16/h1-5,7H,6H2

2.1.3 InChI Key

FTEKBGGQRNJIPQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OCC2=CN=CS2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 144163-97-3

2. ((5-thiazolyl)methyl)-(4-nitrophenyl)carbonate

3. Thiazolylmethyl-4-nitrophenylcarbonate

4. (4-nitrophenyl) 1,3-thiazol-5-ylmethyl Carbonate

5. Carbonic Acid 4-nitrophenyl 5-thiazolylmethyl Ester

6. Carbonic Acid, 4-nitrophenyl 5-thiazolylmethyl Ester

7. 4-nitrophenyl Thiazol-5-ylmethyl Carbonate

8. 4-nitrophenyl (1,3-thiazol-5-yl)methyl Carbonate

9. Mfcd09750981

10. (4-nitrophenyl) Thiazol-5-ylmethyl Carbonate

11. Carbonic Acid,4-nitrophenyl-5-thiazolyl Methyl Ester(nct)

12. 4-nitrophenyl (5-thiazolylmethyl) Carbonate

13. Ec 680-587-3

14. 4-nitrophenyl 1,3-thiazol-5-ylmethyl Carbonate

15. Schembl272963

16. Dtxsid10432333

17. Bcp28373

18. Zinc72400623

19. Akos015889239

20. Ac-1728

21. Am84400

22. As-16046

23. Sy102959

24. 4-nitrophenyl(thiazol-5-ylmethyl)carbonate

25. 5-(p-nitrophenoxycarbonyloxymethyl)thiazole

26. 5-(p-nitrophenyoxycarbonyloxymethyl)thiazole

27. 5-(p-nitrophenoxycarbonyloxy Methyl)thiazole

28. 5-(p-nitrophenyloxycarbonyloxymethyl)thiazole

29. Cs-0157448

30. Ft-0650147

31. 5-(p-nitrophenyloxycarbonyloxy-methyl)thiazole

32. Thiazolylmethyl-4-nitrophenylcarbonate-[13c3]

33. 163t973

34. A808184

35. Carbonic Acid 4-nitrophenyl=5-thiazolylmethyl Ester

36. J-007925

37. J-515881

38. Carbonic Acid 4-nitrophenyl Ester Thiazol-5-ylmethyl Ester

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₈N₂O₅S
Molecular Weight	280.26 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	280.01539253 g/mol
Monoisotopic Mass	280.01539253 g/mol
Topological Polar Surface Area	123 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	328
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