1-(6-methylsulfanyl-3-pyridinyl)ethanone

C8H9NOS — CID 66904879

IUPAC1-(6-methylsulfanyl-3-pyridinyl)ethanone
SMILESCSc1ccc(C(C)=O)cn1
InChIInChI=1S/C8H9NOS/c1-6(10)7-3-4-8(11-2)9-5-7/h3-5H,1-2H3
InChIKeyLNQOQKWARJEFRS-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.01
Rot. Bonds2

About 1-(6-methylsulfanyl-3-pyridinyl)ethanone

1-(6-methylsulfanyl-3-pyridinyl)ethanone (PubChem CID 66904879) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-(6-methylsulfanyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(6-methylsulfanyl-3-pyridinyl)ethanone
PubChem CID66904879
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name1-(6-methylsulfanyl-3-pyridinyl)ethanone
SMILESCSc1ccc(C(C)=O)cn1
InChIInChI=1S/C8H9NOS/c1-6(10)7-3-4-8(11-2)9-5-7/h3-5H,1-2H3
InChIKeyLNQOQKWARJEFRS-UHFFFAOYSA-N
XLogP2.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Acetylpyridine
CID 9589
3-Acetyl-6-methylpyridine
CID 95292
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1-Phenyl-3-{[5-(trifluoromethyl)-2-pyridyl]thio}prop-2-en-1-one
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3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one
CID 5369165
1-(Pyridin-3-yl)butan-1-one
CID 459502
2-(Benzylsulfanyl)nicotinaldehyde
CID 4531915
N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide
CID 15016062
(2e)-3-Phenyl-1-(pyridin-3-yl)prop-2-en-1-one
CID 5355549
2,2,2-Trifluoro-1-(pyridin-3-yl)ethan-1-one
CID 11769061
1-(Pyridin-3-yl)butane-1,3-dione
CID 300160
1-(4-Methyl-3-pyridinyl)ethanone
CID 10942481

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylsulfanyl-3-pyridinyl)ethanone?
The IUPAC name of 1-(6-methylsulfanyl-3-pyridinyl)ethanone (CID 66904879) is 1-(6-methylsulfanyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(6-methylsulfanyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(6-methylsulfanyl-3-pyridinyl)ethanone is CSc1ccc(C(C)=O)cn1.
What is the InChIKey of 1-(6-methylsulfanyl-3-pyridinyl)ethanone?
The InChIKey is LNQOQKWARJEFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-6(10)7-3-4-8(11-2)9-5-7/h3-5H,1-2H3.
What are the key properties of 1-(6-methylsulfanyl-3-pyridinyl)ethanone?
1-(6-methylsulfanyl-3-pyridinyl)ethanone has a molecular weight of 167.23 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylsulfanyl-3-pyridinyl)ethanone is sourced from PubChem (CID 66904879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).