CAS 6631-94-3

Chemistry, 2 End Use API, 1 Related Intermediates

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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

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 Formula	C₁₄H₁₁NOS
Molecular Weight	241.31 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	241.05613515 g/mol
Monoisotopic Mass	241.05613515 g/mol
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	307
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

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Anupam Rasayan India Ltd.

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2-Acetylphenothiazine

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CAS Number

6631-94-3

End Use API

Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:20...

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, a rich history of innovation through research, and a total commitment to excellence in quality and customer satisfaction. ARIL is a manufacturer of Specialty Chemicals, with products catering to a plethora of market segments such as Pharmaceuticals, Agrochemicals, Pigments, Dyestuff, Material Sciences and Human Care. Our vision is to exploit to the maximum the potential of our extensive infrastructure and knowledge base, and then go beyond these to explore new horizons. Our objective is to grow exponentially in a multi-faceted manner through our chemistry, our technology and most importantly, through our customer support. ARIL thrives on its strong Research & Development and we have introduced numerous products for the first time in India. Many products have been introduced on an exclusive basis for our customers, for which we have entered into exclusivity agreements.

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CAS Number

6631-94-3

End Use API

Acepromazine

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With nearly seven decades of manufacturing expertise, Speichim Processing actively formulates circular ec...

With nearly seven decades of manufacturing expertise, Speichim Processing actively formulates circular economy strategies by reclaiming waste and chemical products across diverse sectors such as fine chemicals, cosmetics, perfumery, pharmaceuticals, and petrochemicals. All our facilities adhere to the Installations Classified for the Protection of the Environment (ICPE) standards and carry Seveso classification, either high threshold (Saint-Vulbas) or low threshold (Beaufort and Mourenx). Committed to continuous enhancement, Speichim Processing complies with the ISO 9001 standard and, for specific products, adheres to the GMP.

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