Sln Pharmachem

CAS 84449-65-0

Chemistry, 4 End Use API, 24 Related Intermediates

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Also known as: 84449-65-0, [4-(6-methylsulfonyloxy-1-benzothiophen-2-yl)phenyl] methanesulfonate, 4-(6-(methylsulfonyloxy)benzo[b]thiophen-2-yl)phenyl methanesulfonate, 2-[4-[(methylsulfonyl)oxy]phenyl]-benzo[b]thiophene-6-ol 6-methanesulfonate, 4-(6-methylsulfonyloxybenzothiophen-2-yl)phenyl methanesulfonate, 4-(6-(methylsulfonyloxy)benzo(b)thiophen-2-yl)phenyl methanesulfonate

Molecular Formula

C₁₆H₁₄O₆S₃

Molecular Weight

398.5 g/mol

InChI Key

OPKQAMCWGICRGH-UHFFFAOYSA-N

1 2D Structure

CAS 84449-65-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-(6-methylsulfonyloxy-1-benzothiophen-2-yl)phenyl] methanesulfonate

2.1.2 InChI

InChI=1S/C16H14O6S3/c1-24(17,18)21-13-6-3-11(4-7-13)15-9-12-5-8-14(10-16(12)23-15)22-25(2,19)20/h3-10H,1-2H3

2.1.3 InChI Key

OPKQAMCWGICRGH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CS(=O)(=O)OC1=CC=C(C=C1)C2=CC3=C(S2)C=C(C=C3)OS(=O)(=O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 84449-65-0

2. [4-(6-methylsulfonyloxy-1-benzothiophen-2-yl)phenyl] Methanesulfonate

3. 4-(6-(methylsulfonyloxy)benzo[b]thiophen-2-yl)phenyl Methanesulfonate

4. 2-[4-[(methylsulfonyl)oxy]phenyl]-benzo[b]thiophene-6-ol 6-methanesulfonate

5. 4-(6-methylsulfonyloxybenzothiophen-2-yl)phenyl Methanesulfonate

6. 4-(6-(methylsulfonyloxy)benzo(b)thiophen-2-yl)phenyl Methanesulfonate

7. Raloxifene Impurity 3

8. Ec 806-588-2

9. Schembl6837014

10. Dtxsid50534769

11. 4-(6-((methylsulfonyl)oxy)benzo[b]thiophen-2-yl)phenylmethanesulfonate

12. Mfcd16620994

13. Zinc39473703

14. 4-{6-[(methanesulfonyl)oxy]-1-benzothiophen-2-yl}phenyl Methanesulfonate

15. Ds-3708

16. Cs-0210889

17. Ft-0727819

18. F16084

19. A916151

20. 2-(4-hydroxyphenyl)benzo[b]thiophen-6-ol Bimesylate

21. 6-methanesulfonyloxy-2-(4-methanesulfonyloxyphenyl)benzo[b]thiophene

22. 2-[4-[methylsulfonyloxy]phenyl]-benzo[b]thiophene-6-ol 6-methanesulfonate

23. 6-methanesulfonyloxy-2-(4-methanesulfonyloxyphenyl)-benzo[b]thiophene

24. Methanesulfonic Acid 2-[4-(methylsulfonyloxy)phenyl]benzo[b]thiophene-6-yl Ester

25. 2-[4-[(methylsulfonyl)oxy]phenyl]benzo[b]thien-6-yl Methanesulfonate; 2-[4-[(methylsulfonyl)oxy]phenyl]-benzo[b]thiophene-6-ol Methanesulfonate; 4-(6-((methylsulfonyl)oxy)benzo[b]thiophen-2-yl)phenyl Methanesulfonate

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₄O₆S₃
Molecular Weight	398.5 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	397.99525168 g/mol
Monoisotopic Mass	397.99525168 g/mol
Topological Polar Surface Area	132 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	655
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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CAS Number

84449-65-0

End Use API

Raloxifene Hydrochloride

About the Company

SLN Pharmachem was setup in 1997 with an objective to provide technology based products (Intermediates) f...

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 certified and has its manufacturing unit backed up by professionals who are desirous in manufacturing new, difficult to produce molecules with success to achieve the best quality standards in the international competition.

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