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Chemistry

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Also known as: 221615-75-4, 1-(6-methylpyridin-3-yl)-2-(4-methylsulfonylphenyl)ethanone, 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone, 2-(4-methanesulfonyl-phenyl)-1-(6-methyl-pyridin-3-yl)-ethanone, 2-(4-mesylphenyl)-1-(6-methylpyridin-3-yl)- ethan-1-one, Rcyjmcpv68
Molecular Formula
C15H15NO3S
Molecular Weight
289.4  g/mol
InChI Key
YBFHILNBYXCJKD-UHFFFAOYSA-N
FDA UNII
RCYJMCPV68

Ketosulfone
1 2D Structure

Ketosulfone

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(6-methylpyridin-3-yl)-2-(4-methylsulfonylphenyl)ethanone
2.1.2 InChI
InChI=1S/C15H15NO3S/c1-11-3-6-13(10-16-11)15(17)9-12-4-7-14(8-5-12)20(2,18)19/h3-8,10H,9H2,1-2H3
2.1.3 InChI Key
YBFHILNBYXCJKD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=NC=C(C=C1)C(=O)CC2=CC=C(C=C2)S(=O)(=O)C
2.2 Other Identifiers
2.2.1 UNII
RCYJMCPV68
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 221615-75-4

2. 1-(6-methylpyridin-3-yl)-2-(4-methylsulfonylphenyl)ethanone

3. 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone

4. 2-(4-methanesulfonyl-phenyl)-1-(6-methyl-pyridin-3-yl)-ethanone

5. 2-(4-mesylphenyl)-1-(6-methylpyridin-3-yl)- Ethan-1-one

6. Rcyjmcpv68

7. Ethanone, 1-(6-methyl-3-pyridinyl)-2-[4-(methylsulfonyl)phenyl]-

8. Ketosulfone

9. 1-(6-methyl-3-pyridinyl)-2-[4-(methylsulfonyl)phenyl]ethanone

10. (ethanone,1-(6-methyl-3-pyridinyl)-2-[4-(methylsulfonyl)phenyl]- )

11. Ethanone, 1-(6-methyl-3-pyridinyl)-2-(4-(methylsulfonyl)phenyl)-

12. Etoricoxib Impurity D

13. 3-(4-mesylphenylacetyl)-6-methylpyridine

14. Unii-rcyjmcpv68

15. Ec 606-942-4

16. Schembl322719

17. Amy401

18. Dtxsid90432937

19. 1-(6-methylpyridine-3-yl)-2-((4-methylsulfonyl)phenyl)ethanone

20. Bcp10864

21. Cs-b0765

22. Wia61575

23. 1-(6-methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethan-1-one

24. 2-[4-(methanesulfonyl)phenyl]-1-(6-methylpyridin-3-yl)ethan-1-one

25. Mfcd11110696

26. Zinc34031531

27. Akos016011204

28. Ds-6392

29. Ac-25856

30. Ft-0698037

31. 2-(4-mesylphenyl)-1-(6-methylpyridin-3-yl)ethan-1-one

32. 1-(6-methyl-3-pyridinyl)-2-[4-(methylsulfonyl)phenyl]-ethanone

33. 2-(4-mesylphenyl)-1-(6-methylpyridin-3-yl)-ethan-1-one

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 289.4 g/mol
Molecular Formula C15H15NO3S
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass289.07726451 g/mol
Monoisotopic Mass289.07726451 g/mol
Topological Polar Surface Area72.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity433
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API SUPPLIERS

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01

Sumitomo Seika Chemicals

Japan

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

Antibody Engineering
Not Confirmed
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Sumitomo Seika Chemicals

Japan

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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Antibody Engineering
Not Confirmed
USDMF Inactive-api CEP/COS JDMF EU-WC NDC KDMF VMF Others AUDIT
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02

Lonza Group

Switzerland

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

Antibody Engineering
Not Confirmed
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Lonza Group

Switzerland

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

arrow
Antibody Engineering
Not Confirmed
USDMF Inactive-api CEP/COS JDMF EU-WC NDC KDMF VMF Others AUDIT
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API Reference Price

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23-May-2023
26-Aug-2024
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