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CHEMISTRY

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Chemistry

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Also known as: 261-96-1, 10h-benzo[b]pyrido[2,3-e][1,4]thiazine, 10h-pyrido(3,2-b)(1,4)benzothiazine, 1-azaphenothiazine, 1h-pyrido[3,2-b][1,4]benzothiazine, Azaphenothiazine

Molecular Formula

C₁₁H₈N₂S

Molecular Weight

200.26 g/mol

InChI Key

UKDZROJJLPDLDO-UHFFFAOYSA-N

CAS 67496

1 2D Structure

CAS 67496

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

10H-pyrido[3,2-b][1,4]benzothiazine

2.1.2 InChI

InChI=1S/C11H8N2S/c1-2-5-9-8(4-1)13-11-10(14-9)6-3-7-12-11/h1-7H,(H,12,13)

2.1.3 InChI Key

UKDZROJJLPDLDO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)NC3=C(S2)C=CC=N3

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Azaphenothiazine

2.2.2 Depositor-Supplied Synonyms

1. 261-96-1

2. 10h-benzo[b]pyrido[2,3-e][1,4]thiazine

3. 10h-pyrido(3,2-b)(1,4)benzothiazine

4. 1-azaphenothiazine

5. 1h-pyrido[3,2-b][1,4]benzothiazine

6. Azaphenothiazine

7. Einecs 205-973-7

8. Nsc277720

9. 10h-benzo[e]pyrido[3,2-b][1,4]thiazine

10. Schembl459986

11. Dtxsid80180733

12. Amy37835

13. Bcp08187

14. Mfcd00160449

15. Akos016011192

16. Akos028109371

17. Cs-w015605

18. Fd10522

19. Nsc 277720

20. Nsc-277720

21. Da-29866

22. Ns00028044

23. 10h-pyrido[3,2-b][1,4]benzothiazine; 1h-pyrido[3,2-b][1,4]benzothiazine (9ci); 1-azaphenothiazine; Nsc 277720

24. 9-thia-2,4-diazatricyclo[8.4.0.0(3),?]tetradeca-1(14),3(8),4,6,10,12-hexaene

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₈N₂S
Molecular Weight	200.26 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	50.2
Heavy Atom Count	14
Formal Charge	0
Complexity	210
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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