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CAS 144163-97-3
PharmaCompass
CAS 144163-97-3
Also known as: 144163-97-3, ((5-thiazolyl)methyl)-(4-nitrophenyl)carbonate, 4-nitrophenyl (thiazol-5-ylmethyl) carbonate, Thiazolylmethyl-4-nitrophenylcarbonate, Carbonic acid 4-nitrophenyl 5-thiazolylmethyl ester, Carbonic acid,4-nitrophenyl-5-thiazolyl methyl ester(nct)
Molecular Formula
C11H8N2O5S
Molecular Weight
280.254  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. 4-nitrophenyl (thiazol-5-ylmethyl) Carbonate

4. Thiazolylmethyl-4-nitrophenylcarbonate

5. Carbonic Acid 4-nitrophenyl 5-thiazolylmethyl Ester

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

7. Ak-33287

8. 4-nitrophenyl Thiazol-5-ylmethyl Carbonate

9. 4-nitrophenyl 1,3-thiazol-5-ylmethyl Carbonate

10. 4-nitrophenyl (1,3-thiazol-5-yl)methyl Carbonate

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

12. Carbonic Acid,4-nitrophenyl-5-thiazolyl Methyl Ester

13. ( - Carbonate

14. (5-thiazolyl)methyl-(4-nitrophenyl)carbonate

15. (4-nitrophenyl) 1,3-thiazol-5-ylmethyl Carbonate

16. Schembl272963

17. C11h8n2o5s

18. Jsp002588

19. Ctk8b3900

20. Dtxsid10432333

21. Ftekbggqrnjipq-uhfffaoysa-n

22. Molport-006-396-112

23. Anw-43406

24. Ct-618

25. Mfcd09750981

26. Sbb063510

27. Zinc72400623

28. Akos015889239

29. Ac-1728

30. Am84400

31. Qc-6295

32. Rp17616

33. Rtx-011211

34. An-14655

35. As-16046

36. Bc679389

37. He057426

38. He311573

39. S030

40. Sc-26378

41. 5-(p-nitrophenoxycarbonyloxymethyl)thiazole

42. 5-(p-nitrophenyoxycarbonyloxymethyl)thiazole

43. Ab0018447

44. Ax8018361

45. Kb-291223

46. 5-(p-nitrophenoxycarbonyloxy Methyl)thiazole

47. 5-(p-nitrophenyloxycarbonyloxymethyl)thiazole

48. Ft-0650147

49. St24029194

50. 5-(p-nitrophenyloxycarbonyloxy-methyl)thiazole

51. 163t973

52. Carbonic Acid 4-nitrophenyl-5-thiazolylmethyl Ester

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

54. I01-1890

55. J-007925

56. J-515881

57. 3b1-001332

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 280.254 g/mol
Molecular Formula C11H8N2O5S
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass280.015 g/mol
Monoisotopic Mass280.015 g/mol
Topological Polar Surface Area123 A^2
Heavy Atom Count19
Formal Charge0
Complexity328
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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