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Also known as: 2-acetylphenothiazine, 6631-94-3, Ml171, Ethanone, 1-(10h-phenothiazin-2-yl)-, Methyl phenothiazin-2-yl ketone, Ml 171
Molecular Formula
C14H11NOS
Molecular Weight
241.31  g/mol
InChI Key
JWGBOHJGWOPYCL-UHFFFAOYSA-N

CAS 6631-94-3
1 2D Structure

CAS 6631-94-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(10H-phenothiazin-2-yl)ethanone
2.1.2 InChI
InChI=1S/C14H11NOS/c1-9(16)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)17-14/h2-8,15H,1H3
2.1.3 InChI Key
JWGBOHJGWOPYCL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 2-acetylphenothiazine

2. 2-apt Compound

3. Ml171

2.2.2 Depositor-Supplied Synonyms

1. 2-acetylphenothiazine

2. 6631-94-3

3. Ml171

4. Ethanone, 1-(10h-phenothiazin-2-yl)-

5. Methyl Phenothiazin-2-yl Ketone

6. Ml 171

7. 2-acetylphenothiazine;2-apt

8. Mls000047624

9. 2-acetylphenothiazine (ml171)

10. 3-acetylphenothiazine

11. 1-(10h-phenothiazin-2-yl)ethan-1-one

12. Smr000033635

13. Sr-01000597201

14. Nsc57951

15. Einecs 229-626-4

16. Unii-8dee7h3xab

17. 8dee7h3xab

18. 2-acetyl-10h-phenothiazine

19. 2-acetylphenothiazine, 95%

20. Cid_81131

21. Mls003166900

22. Bidd:gt0700

23. Schembl342449

24. Chembl407734

25. Bdbm42323

26. Chebi:92473

27. Dtxsid20216525

28. Hms2301e19

29. Hms3869j13

30. Zinc119687

31. Mfcd00005017

32. Nsc 57951

33. Nsc-57951

34. Nsc169669

35. S5304

36. Stk301831

37. Akos000119447

38. Bs-4506

39. Ccg-266883

40. Nsc 169669

41. Nsc-169669

42. 1-(10h-phenothiazin-2-yl)ethanone #

43. Ac-11153

44. Ac-33136

45. Hy-12805

46. Db-020348

47. Cs-0012526

48. Ft-0610945

49. 631a943

50. A867484

51. Ak-968/41128722

52. Sr-01000597201-1

53. Sr-01000597201-3

54. Sr-01000597201-4

55. Sr-01000597201-6

56. Q27164209

57. Z256709112

58. 2-acetylphenothiazine; Methyl Phenothiazin-2-yl Ketone; Labotest-bb Lt00012652; 2-acetyl-phenothiazine

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 241.31 g/mol
Molecular Formula C14H11NOS
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass241.05613515 g/mol
Monoisotopic Mass241.05613515 g/mol
Topological Polar Surface Area54.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity307
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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AusBiotech 2024
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2-Acetylphenothiazine

CAS Number : 6631-94-3

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About the Company : Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:2004 certified chemical company with sound technology, environment consciousness, ...

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AusBiotech 2024
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AusBiotech 2024
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2-Acetyl Phenothiazine

CAS Number : 6631-94-3

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About the Company : With nearly seven decades of manufacturing expertise, Speichim Processing actively formulates circular economy strategies by reclaiming waste and chemical products across diverse sector...

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