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CAS 66490-33-3
Also known as: 66490-33-3, 4-chloro-1-benzothiophene, 4-chlorobenzothiophene, Benzo[b]thiophene, 4-chloro-, 4-chloro-benzo[b]thiophene, Chlorobenzo[b]thiophene
Molecular Formula
C8H5ClS
Molecular Weight
168.64  g/mol
InChI Key
YGYUMNQONHLLNC-UHFFFAOYSA-N

1 2D Structure

CAS 66490-33-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chloro-1-benzothiophene
2.1.2 InChI
InChI=1S/C8H5ClS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H
2.1.3 InChI Key
YGYUMNQONHLLNC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=CS2)C(=C1)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 66490-33-3

2. 4-chloro-1-benzothiophene

3. 4-chlorobenzothiophene

4. Benzo[b]thiophene, 4-chloro-

5. 4-chloro-benzo[b]thiophene

6. Chlorobenzo[b]thiophene

7. 4-chlorobenzo[b]-thiophene

8. Benzo[b]thiophene,4-chloro-

9. Schembl827532

10. Amy3599

11. Dtxsid70496350

12. Mfcd18451627

13. Zinc89195313

14. Akos027325155

15. Sb14697

16. Ac-29979

17. Da-39552

18. Ds-11597

19. Cs-0097337

20. Ft-0765292

21. D70776

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 168.64 g/mol
Molecular Formula C8H5ClS
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass167.9800490 g/mol
Monoisotopic Mass167.9800490 g/mol
Topological Polar Surface Area28.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity126
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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CAS-5118-13-8
Brexpiprazole
Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in...
Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in R&D, production and sales of pharmaceutical raw materials and intermediates. The research and development center is located in Jinan high-tech zone, the production base is located in Ulanqab, Inner Mongolia. The plant has 6 production workshops, covering an area of 1,000,000㎡. At present, we have passed the supplier audit from many domestic pharmaceutical enterprises and world-class pharmaceutical enterprises. Main business: pharmaceutical API and intermediate research and development, production and sales.
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CAS-70500-72-0
Brexpiprazole
Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in...
Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in R&D, production and sales of pharmaceutical raw materials and intermediates. The research and development center is located in Jinan high-tech zone, the production base is located in Ulanqab, Inner Mongolia. The plant has 6 production workshops, covering an area of 1,000,000㎡. At present, we have passed the supplier audit from many domestic pharmaceutical enterprises and world-class pharmaceutical enterprises. Main business: pharmaceutical API and intermediate research and development, production and sales.
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CAS-913614-18-3
Brexpiprazole
Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in...
Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in R&D, production and sales of pharmaceutical raw materials and intermediates. The research and development center is located in Jinan high-tech zone, the production base is located in Ulanqab, Inner Mongolia. The plant has 6 production workshops, covering an area of 1,000,000㎡. At present, we have passed the supplier audit from many domestic pharmaceutical enterprises and world-class pharmaceutical enterprises. Main business: pharmaceutical API and intermediate research and development, production and sales.
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