CAS 3622-23-9

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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

CAS 3622-23-9

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 Formula	C₇H₃Cl₂NS
Molecular Weight	204.08 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	202.9363257 g/mol
Monoisotopic Mass	202.9363257 g/mol
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	155
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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