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Also known as: 2-methoxyphenothiazine, 1771-18-2, 10h-phenothiazine, 2-methoxy-, Methyl phenothiazin-2-yl ether, Phenothiazine, 2-methoxy-, Mfcd00037838
Molecular Formula
C13H11NOS
Molecular Weight
229.30  g/mol
InChI Key
DLYKFPHPBCTAKD-UHFFFAOYSA-N

CAS 1771-18-2
1 2D Structure

CAS 1771-18-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-methoxy-10H-phenothiazine
2.1.2 InChI
InChI=1S/C13H11NOS/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
2.1.3 InChI Key
DLYKFPHPBCTAKD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC2=C(C=C1)SC3=CC=CC=C3N2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2-methoxyphenothiazine

2. 1771-18-2

3. 10h-phenothiazine, 2-methoxy-

4. Methyl Phenothiazin-2-yl Ether

5. Phenothiazine, 2-methoxy-

6. Mfcd00037838

7. Chembl64404

8. Nsc 72107

9. Nsc72107

10. Einecs 217-195-5

11. 2methoxy-phenothiazine

12. Timtec1_000536

13. Oprea1_747823

14. Cid_74490

15. Schembl239600

16. Zinc35763

17. Dtxsid70170249

18. Chebi:125620

19. Hms1535i08

20. Albb-025822

21. Bdbm50012881

22. Nsc-72107

23. Stk400090

24. Akos001305620

25. Am10783

26. Cs-w012974

27. Hy-w012258

28. Ac-16556

29. As-59826

30. Sy053063

31. Db-014140

32. Ft-0612858

33. M0822

34. D91390

35. 771m182

36. Sr-03000000753-1

37. W-107831

38. Brd-k70980943-001-01-1

39. Q27216232

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 229.30 g/mol
Molecular Formula C13H11NOS
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass229.05613515 g/mol
Monoisotopic Mass229.05613515 g/mol
Topological Polar Surface Area46.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity248
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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