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2D Structure
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

1 2D Structure

2D Structure

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