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1. 2-abt Cpd
1. 22720-75-8
2. 2-acetylbenzo[b]thiophene
3. 1-(benzo[b]thiophen-2-yl)ethanone
4. 1-benzo[b]thiophen-2-yl-ethanone
5. 1-(1-benzothiophen-2-yl)ethanone
6. Ethanone, 1-benzo[b]thienyl-
7. Ethanone, 1-benzo(b)thien-2-yl-
8. Zc5epe32df
9. 1-(1-benzothiophen-2-yl)ethan-1-one
10. Mfcd00090217
11. 2-acetylbenzo(b)thiophene
12. 1-benzo-[b]thien-2-ylethanone
13. 1-(benzo[b]thiophen-2-yl)ethan-1-one
14. 1-(benzo[b]thiophen-2-yl]ethan-1-one
15. Zileuton Related Compound C
16. 1-benzo(b)thien-2-ylethan-1-one
17. Einecs 245-177-7
18. 2-acetylbenzothiophen
19. Unii-zc5epe32df
20. 2-acetyl Benzo[b]thiophene
21. Dsstox_cid_31481
22. Dsstox_rid_97366
23. Dsstox_gsid_57692
24. 2-acetylbenzothiophene, 97%
25. Schembl407602
26. Chembl541695
27. Dtxsid3057692
28. Sgsgcqgcvkwrnm-uhfffaoysa-
29. Act04879
30. Amy23205
31. Cs-d0712
32. Zinc2172307
33. Tox21_113819
34. 1-(benzo[b]thiophen-2-yl)-ethanone
35. Akos000280479
36. Fs-2177
37. Ncgc00253698-01
38. Ac-24592
39. Sy001822
40. Cas-22720-75-8
41. Db-012661
42. A4849
43. Ft-0610970
44. Zileuton Related Compound C [usp-rs]
45. 720a758
46. Sr-01000944859
47. Sr-01000944859-1
48. W-107460
49. F1905-7187
50. Zileuton Related Compound C, United States Pharmacopeia (usp) Reference Standard
Molecular Weight | 176.24 g/mol |
---|---|
Molecular Formula | C10H8OS |
XLogP3 | 3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 1 |
Exact Mass | 176.02958605 g/mol |
Monoisotopic Mass | 176.02958605 g/mol |
Topological Polar Surface Area | 45.3 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 190 |
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 |
2-acetylbenzothiophene has known human metabolites that include 1-(1-oxo-2,3,3a,4,5,6,7,7a-octahydro-1-benzothiophen-2-yl)ethanol.
S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560