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Also known as: 38642-74-9, 2-cyano-phenothiazine, 2-cyanophenothiazine, 2-cyano phenothiazine, Phenothiazine-2-carbonitrile, 2-phenothiazinecarbonitrile
Molecular Formula
C13H8N2S
Molecular Weight
224.28  g/mol
InChI Key
XZSIGWOVDPSPMG-UHFFFAOYSA-N

CAS 38642-74-9
1 2D Structure

CAS 38642-74-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
10H-phenothiazine-2-carbonitrile
2.1.2 InChI
InChI=1S/C13H8N2S/c14-8-9-5-6-13-11(7-9)15-10-3-1-2-4-12(10)16-13/h1-7,15H
2.1.3 InChI Key
XZSIGWOVDPSPMG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)C#N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 38642-74-9

2. 2-cyano-phenothiazine

3. 2-cyanophenothiazine

4. 2-cyano Phenothiazine

5. Phenothiazine-2-carbonitrile

6. 2-phenothiazinecarbonitrile

7. 2-cyano-10h-phenothiazine

8. Einecs 254-057-3

9. Nsc170554

10. Nsc 170554

11. Periciazine M (ring)

12. Unii-9gl34yy2gv

13. 9gl34yy2gv

14. Schembl4073961

15. Chembl4795388

16. Dtxsid50191957

17. Am958

18. Bcp25907

19. Cs-m1886

20. Zinc1688610

21. Akos015915312

22. Nsc-170554

23. As-12336

24. Db-049312

25. Ft-0612115

26. P2308

27. 642p749

28. A824208

29. W-106472

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 224.28 g/mol
Molecular Formula C13H8N2S
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass224.04081944 g/mol
Monoisotopic Mass224.04081944 g/mol
Topological Polar Surface Area61.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity308
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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