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QCTITLPDUACHDS-UHFFFAOYSA-N

Chemistry, 2 End Use API, 34 Related Intermediates

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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 Formula	C₁₅H₁₅NOS
Molecular Weight	257.4 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	257.08743528 g/mol
Monoisotopic Mass	257.08743528 g/mol
Topological Polar Surface Area	55.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	274
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

221615-75-4

End Use API

Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as ...

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 Quality of our Product, Services, Employee as well the social belonging. Our main strength is our People, who are highly motivated and reflect a perfect blend of Zeal and Commitment. We are committed to satisfy the needs of the customer and Proactive with the solutions of extended needs of the Customer. We are in the serve of Nation over a Decade and renowned by receiving an Award of Udyog Patra in year 2005.

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