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CAS 221615-72-1 manufacturers and suppliers on PharmaCompass

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QCTITLPDUACHDS-UHFFFAOYSA-N
Also known as: 221615-72-1, 1-(6-methylpyridin-3-yl)-2-[4-(methylthio)phenyl]ethanone, 1-(6-methylpyridin-3-yl)-2-(4-methylsulfanylphenyl)ethanone, Amy279, Schembl6119416, Dtxsid201198767
Molecular Formula
C15H15NOS
Molecular Weight
257.4  g/mol
InChI Key
QCTITLPDUACHDS-UHFFFAOYSA-N

1 2D Structure

QCTITLPDUACHDS-UHFFFAOYSA-N

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(6-methylpyridin-3-yl)-2-(4-methylsulfanylphenyl)ethanone
2.1.2 InChI
InChI=1S/C15H15NOS/c1-11-3-6-13(10-16-11)15(17)9-12-4-7-14(18-2)8-5-12/h3-8,10H,9H2,1-2H3
2.1.3 InChI Key
QCTITLPDUACHDS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=NC=C(C=C1)C(=O)CC2=CC=C(C=C2)SC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 221615-72-1

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

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

4. Amy279

5. Schembl6119416

6. Dtxsid201198767

7. 1-(6-methylpyridin-3-yl)-2-(4-(methylthio)phenyl)ethan-1-one

8. Bcp20698

9. Cs-b0764

10. Wia61572

11. Mfcd20267192

12. Zinc34279699

13. Ds-12377

14. F11578

15. A911074

16. 3-[2-(4-(methylthio)phenyl)acetyl](6-methyl)pyridine

17. 3-[2-(4-(methylthio)phenyl)acetyl]-(6-methyl)pyridine

18. 1-(6-methyl-3-pyridyl)-2-[4-(methylthio)phenyl]ethanone

19. 1-(6-methyl-3-pyridinyl)-2-[4-(methylthio)phenyl]ethanone

20. Ethanone, 1-(6-ethyl-3-yridinyl)-2-4-(methylthio)henyl]-

21. 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfanyl)phenyl]ethan-1-one

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 257.4 g/mol
Molecular Formula C15H15NOS
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass257.08743528 g/mol
Monoisotopic Mass257.08743528 g/mol
Topological Polar Surface Area55.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity274
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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221615-72-1
Etoricoxib
Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manuf...
Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.
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Etoricoxib
Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...
Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.
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