CAS 86-39-5

Chemistry, 2 End Use API, 1 Related Intermediates

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Also known as: 86-39-5, 2-chlorothioxanthen-9-one, 2-chloro-9h-thioxanthen-9-one, 9h-thioxanthen-9-one, 2-chloro-, Mls000584923, Rgs87t004b

Molecular Formula

C₁₃H₇ClOS

Molecular Weight

246.71 g/mol

InChI Key

ZCDADJXRUCOCJE-UHFFFAOYSA-N

FDA UNII

RGS87T004B

1 2D Structure

CAS 86-39-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chlorothioxanthen-9-one

2.1.2 InChI

InChI=1S/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H

2.1.3 InChI Key

ZCDADJXRUCOCJE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)Cl

2.2 Other Identifiers

2.2.1 UNII

RGS87T004B

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-chlorothioxanthen-9-one

2.3.2 Depositor-Supplied Synonyms

1. 86-39-5

2. 2-chlorothioxanthen-9-one

3. 2-chloro-9h-thioxanthen-9-one

4. 9h-thioxanthen-9-one, 2-chloro-

5. Mls000584923

6. Rgs87t004b

7. 2-chlorothioxanthen-9-one, 98%

8. Mfcd00005067

9. Smr000207308

10. 2-chlorothiaxanthone

11. 2-chlorothioxanthene-9-one

12. Unii-rgs87t004b

13. Einecs 201-667-2

14. Sandoray 1050

15. 2-chloro-thioxanthone

16. 2-chloro-9-thioxanthone

17. Ai3-28100

18. 2-chloro-9-thioxanthenone

19. 2-chloro-thioxanthen-9-one

20. Schembl37075

21. 2-chloranylthioxanthen-9-one

22. Cid_618848

23. Thioxanthen-9-one, 2-chloro-

24. Chembl1404465

25. Bdbm74837

26. Dtxsid90861667

27. Hms2577i05

28. 2-chloro-9h-thioxanthen-9-one #

29. Zinc5019985

30. Akos000507449

31. Ac-8084

32. Cs-w020969

33. As-12064

34. Sy033135

35. Db-014095

36. Eu-0066618

37. Ft-0612028

38. F13426

39. 005c067

40. Sr-01000597219

41. Sr-01000597219-1

42. W-104069

43. Q27288110

44. Tert-butyls-(4,6-dimethylpyrimidin-2-yl)thiolcarbonate

45. N-cyclopropyl-4-{[1-(3-methylbutanoyl)piperidin-4-yl]methoxy}benzamide

46. Zuclopenthixol Impurity B, European Pharmacopoeia (ep) Reference Standard

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₇ClOS
Molecular Weight	246.71 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	245.9906137 g/mol
Monoisotopic Mass	245.9906137 g/mol
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	294
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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R L Fine Chem

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2-Chlorothioxanthone

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CAS Number

86-39-5

End Use API

Established in 1984, R L Fine Chem Pvt. Ltd. is one of the fastest growing API companies, with a leadersh...

Established in 1984, R L Fine Chem Pvt. Ltd. is one of the fastest growing API companies, with a leadership position in several APIs such as antihistamines, antidepressants and muscle relaxants. Acquired by private equity groups in 2016, it is one of India’s leading manufacturers of psychotropic substances. It supplies over 60 APIs to customers in more than 62 countries from FDA and EU-approved locations. R L Fine Chem is a technology-driven company with a focus on the in-house manufacture of key intermediates for our APIs. The company currently operates out of four facilities in the Indian states of Karnataka and Andhra Pradesh.

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CAS Number

86-39-5

End Use API

Zuclopenthixol Hydrochloride

About the Company

Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to th...

Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to the generic and custom requirements of some of the most prestigious pharma companies. It is WHO-GMP, ISO 9001-2008 and ISO 14000:2004 certified. Shodhana develops quality products through cutting-edge research, expertise and the best drug manufacturing practices. Its manufacturing processes are as per ICH guidelines and cGMP-compliant. Shodhana also has a world-class R&D lab manned by a team of highly qualified scientists. Shodhana exports the highest-quality APIs and intermediates to markets across several countries.

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