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2D Structure
Also known as: 3622-23-9, 2,6-dichloro-1,3-benzothiazole, 2,6-dichlorobenzo[d]thiazole, Benzothiazole, 2,6-dichloro-, 2,6-dichloro benzothiazole, Aq7y99r8h3
Molecular Formula
C7H3Cl2NS
Molecular Weight
204.08  g/mol
InChI Key
QDZGJGWDGLHVNK-UHFFFAOYSA-N
FDA UNII
AQ7Y99R8H3

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,6-dichloro-1,3-benzothiazole
2.1.2 InChI
InChI=1S/C7H3Cl2NS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H
2.1.3 InChI Key
QDZGJGWDGLHVNK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=C1Cl)SC(=N2)Cl
2.2 Other Identifiers
2.2.1 UNII
AQ7Y99R8H3
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3622-23-9

2. 2,6-dichloro-1,3-benzothiazole

3. 2,6-dichlorobenzo[d]thiazole

4. Benzothiazole, 2,6-dichloro-

5. 2,6-dichloro Benzothiazole

6. Aq7y99r8h3

7. 2,6-dichlorobenzo(d)thiazole

8. 2,6-dichloro-benzothiazole

9. Einecs 222-819-4

10. Mfcd00044101

11. Unii-aq7y99r8h3

12. 2,6-dichloro -benzothiazole

13. Schembl334252

14. Dtxsid50189773

15. 2,6-dichlorobenzothiazole, 97%

16. Zinc164515

17. Act02328

18. Bcp26651

19. 2,6-dichloro-1,3-benzothiazole #

20. Akos005208218

21. As-5320

22. Cs-w015439

23. Ac-15086

24. 2-chloro-6-chlorobenzo(d)thiazole

25. Db-020171

26. Am20040281

27. D3801

28. Ft-0610599

29. 622d239

30. Q-102069

31. F1910-0017

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 204.08 g/mol
Molecular Formula C7H3Cl2NS
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass202.9363257 g/mol
Monoisotopic Mass202.9363257 g/mol
Topological Polar Surface Area41.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1