CAS 92-39-7

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Also known as: 2-chloro-10h-phenothiazine, 92-39-7, 10h-phenothiazine, 2-chloro-, Phenothiazine, 2-chloro-, 2-chloro phenothiazine, 2-chlorothiodiphenylamine

Molecular Formula

C₁₂H₈ClNS

Molecular Weight

233.72 g/mol

InChI Key

KFZGLJSYQXZIGP-UHFFFAOYSA-N

FDA UNII

95H3AO2301

1 2D Structure

CAS 92-39-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-10H-phenothiazine

2.1.2 InChI

InChI=1S/C12H8ClNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H

2.1.3 InChI Key

KFZGLJSYQXZIGP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)Cl

2.2 Other Identifiers

2.2.1 UNII

95H3AO2301

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2-chloro-10h-phenothiazine

2. 92-39-7

3. 10h-phenothiazine, 2-chloro-

4. Phenothiazine, 2-chloro-

5. 2-chloro Phenothiazine

6. 2-chlorothiodiphenylamine

7. 2-chloro-phenothiazine

8. Chlorpromazine Ep Impurity E

9. Nsc17469

10. Nsc-17469

11. Nsc-67188

12. 95h3ao2301

13. Nsc-170953

14. Sr-01000596948-2

15. Nsc 170953; Nsc 17469; Nsc 67188

16. Wln: T C666 Bm Isj Eg

17. Nsc 17469

18. Einecs 202-152-5

19. Nsc 170953

20. Unii-95h3ao2301

21. Mfcd00005016

22. 2-chloropheno-thiazine

23. Cid_7088

24. Dsstox_cid_31643

25. Dsstox_rid_97527

26. Dsstox_gsid_57854

27. Oprea1_205445

28. 2-chlorophenothiazine, 95%

29. 2-chlorophenothiazine, 97%

30. 2-cl-ph

31. Bidd:gt0829

32. Schembl236458

33. 2-chloranyl-10h-phenothiazine

34. Chembl1411769

35. Dtxsid3057854

36. Bdbm67467

37. Zinc35809

38. Albb-021286

39. Amy23215

40. Nsc67188

41. Tox21_113822

42. Nsc170953

43. Stk246335

44. Akos001389001

45. Cs-w020601

46. Cas-92-39-7

47. Ncgc00253702-01

48. As-16089

49. Db-014092

50. Ft-0611988

51. Ft-0656611

52. 2-(hydroxymethyl)-5-methylpyrimidine-4,6-diol

53. C-5250

54. Sr-01000596948

55. Sr-01000596948-1

56. Q27271788

57. Prochlorperazine Maleate Impurity D [ep Impurity]

58. Chlorpromazine Hydrochloride Impurity E [ep Impurity]

59. Chlorpromazine Impurity E, European Pharmacopoeia (ep) Reference Standard

2.3.2 Other Synonyms

1. 92-39-7

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₈ClNS
Molecular Weight	233.72 g/mol
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	233.0065981 g/mol
Monoisotopic Mass	233.0065981 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	236
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