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CAS 7716-66-7
Also known as: 7716-66-7, 3-chlorobenzo[d]isothiazole, 3-chloro-1,2-benzothiazole, 3-chlorobenzisothiazole, 1,2-benzisothiazole, 3-chloro-, Mfcd00673254
Molecular Formula
C7H4ClNS
Molecular Weight
169.63  g/mol
InChI Key
BCPVKLRBQLRWDQ-UHFFFAOYSA-N

1 2D Structure

CAS 7716-66-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-chloro-1,2-benzothiazole
2.1.2 InChI
InChI=1S/C7H4ClNS/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H
2.1.3 InChI Key
BCPVKLRBQLRWDQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C(=NS2)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 7716-66-7

2. 3-chlorobenzo[d]isothiazole

3. 3-chloro-1,2-benzothiazole

4. 3-chlorobenzisothiazole

5. 1,2-benzisothiazole, 3-chloro-

6. Mfcd00673254

7. 3-chloro-benzo[d]isothiazole

8. 3-chloro-1,2-benzoisothiazole

9. 3-chlorobenzo[d]isothia-zole

10. Schembl291121

11. 3-chlorobenzoisothiazole

12. 3-chloro-(1,2-benzisothiazole)

13. Dtxsid20344599

14. Hms1732n07

15. Zinc2380704

16. Ac-224

17. Bbl010761

18. Stk576537

19. Akos000117368

20. Am10684

21. At19018

22. Cs-w016032

23. Ps-4455

24. Sb14698

25. Sy050239

26. Db-050606

27. A9771

28. Bb 0216396

29. C1991

30. Ft-0615291

31. En300-10958

32. 716c667

33. Q-200367

34. F0001-1985

35. 3-chlorobenzo[d]isothiazole;3-chloro-1,2-benzoisothiazole

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 169.63 g/mol
Molecular Formula C7H4ClNS
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass168.9752980 g/mol
Monoisotopic Mass168.9752980 g/mol
Topological Polar Surface Area41.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity131
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Allchem Laboratories, it is an independent privately owned company.Name changed from Allchem Laboratories to Allchem Lifescience Pvt. Ltd in April-2017.We are Allchem Lifescience Pvt Ltd., a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of Vadodara, Gujarat, India. (Location :400 km north of Mumbai at Vadodara, Gujarat, INDIA).
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Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Al...
Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Allchem Laboratories, it is an independent privately owned company.Name changed from Allchem Laboratories to Allchem Lifescience Pvt. Ltd in April-2017.We are Allchem Lifescience Pvt Ltd., a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of Vadodara, Gujarat, India. (Location :400 km north of Mumbai at Vadodara, Gujarat, INDIA).
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Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Al...
Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Allchem Laboratories, it is an independent privately owned company.Name changed from Allchem Laboratories to Allchem Lifescience Pvt. Ltd in April-2017.We are Allchem Lifescience Pvt Ltd., a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of Vadodara, Gujarat, India. (Location :400 km north of Mumbai at Vadodara, Gujarat, INDIA).
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Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Al...
Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Allchem Laboratories, it is an independent privately owned company.Name changed from Allchem Laboratories to Allchem Lifescience Pvt. Ltd in April-2017.We are Allchem Lifescience Pvt Ltd., a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of Vadodara, Gujarat, India. (Location :400 km north of Mumbai at Vadodara, Gujarat, INDIA).
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Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Al...
Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Allchem Laboratories, it is an independent privately owned company.Name changed from Allchem Laboratories to Allchem Lifescience Pvt. Ltd in April-2017.We are Allchem Lifescience Pvt Ltd., a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of Vadodara, Gujarat, India. (Location :400 km north of Mumbai at Vadodara, Gujarat, INDIA).
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