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Also known as: 63676-22-2, Raloxifene core, 2-(4-hydroxyphenyl)benzo[b]thiophene-6-ol, Estrogen receptor modulator 1, 2-(4-hydroxyphenyl)-1-benzothiophen-6-ol, 2-(4-hydroxyphenyl)-benzo[b]thiophene-6-ol
Molecular Formula
C14H10O2S
Molecular Weight
242.29  g/mol
InChI Key
MDGWZLQPNOETLH-UHFFFAOYSA-N
FDA UNII
8ZK5PJ1CM3

CAS 63676-22-2
1 2D Structure

CAS 63676-22-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(4-hydroxyphenyl)-1-benzothiophen-6-ol
2.1.2 InChI
InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H
2.1.3 InChI Key
MDGWZLQPNOETLH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C2=CC3=C(S2)C=C(C=C3)O)O
2.2 Other Identifiers
2.2.1 UNII
8ZK5PJ1CM3
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 63676-22-2

2. Raloxifene Core

3. 2-(4-hydroxyphenyl)benzo[b]thiophene-6-ol

4. Estrogen Receptor Modulator 1

5. 2-(4-hydroxyphenyl)-1-benzothiophen-6-ol

6. 2-(4-hydroxyphenyl)-benzo[b]thiophene-6-ol

7. 2-(4-hydroxyphenyl)-1-benzothiophene-6-ol

8. 8zk5pj1cm3

9. Chembl431698

10. 2-(4-hydroxyphenyl)benzo(b)thiophene-6-ol

11. Benzo[b]thiophene-6-ol, 2-(4-hydroxyphenyl)-

12. 6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophene

13. 6-hydroxy-2-(4-hydroxyphenyl)-benzo[b]thiophene

14. 6-hydroxy-2-(4-hydroxyphenyl)-benzo(b)thiophene

15. Raloxifene Impurity 2

16. Benzthiophene Compound, 3

17. Unii-8zk5pj1cm3

18. Ec 691-840-2

19. Ztw

20. Schembl2567321

21. Bdbm20628

22. Dtxsid70332204

23. Zinc3581478

24. Mfcd16619490

25. Akos016003276

26. Ac-8398

27. Db08773

28. As-64856

29. Db-027464

30. Hy-110201

31. 2-(4-hydroxyphenyl)-6-hydroxybenzothiophene

32. Cs-0033065

33. Ft-0709145

34. H1628

35. F16052

36. 2-(4-hydroxyphenyl)-6-hydroxybenzo[b]thiophene

37. Q27097953

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 242.29 g/mol
Molecular Formula C14H10O2S
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass242.04015073 g/mol
Monoisotopic Mass242.04015073 g/mol
Topological Polar Surface Area68.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity263
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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2-(4-hydroxyphenyl) benzo[b] thiophene-6-ol

CAS Number : 63676-22-2

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About the Company : We believe in attaining the highest levels of customer satisfaction and social welfare with the philosophy of keeping first things first. Our systematic interventions keeping abreast of...

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6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophene

CAS Number : 63676-22-2

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About the Company : Medilux Laboratories has been providing quality back-end support to the pharmaceutical industry since our inception in 1988. Our resources are dedicated to promoting better health throu...

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6-Hydroxy-2-(4-Hydroxy phenyl) Benzo[B] Thiophene

CAS Number : 63676-22-2

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About the Company : Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as well Global market as a reliable partner. We are very much concern with the Qual...

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6-Hydroxy-2-(4-Hydroxyphenyl)Benzo[B]Thiophene

CAS Number : 63676-22-2

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About the Company : SLN Pharmachem was setup in 1997 with an objective to provide technology based products (Intermediates) for Pharmaceutical, Cosmetic and Fine Chemical Industry. SLN Pharmachem is an ISO...

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Visa Chem

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6-Methoxy-2-(4-methoxy phenyl)Benzo(b) thiophene

CAS Number : 63676-22-2

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About the Company : Visa Chem Pvt Ltd stands alongside Chemical Abstracts Services in supporting the Visa Chem goal to be the most authoritative, comprehensive, and indispensable provider of chemistry-rela...

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