6-methyl-3-methylsulfanyl-1H-pyridin-2-one

C7H9NOS — CID 166973798

IUPAC6-methyl-3-methylsulfanyl-1H-pyridin-2-one
SMILESCSc1ccc(C)[nH]c1=O
InChIInChI=1S/C7H9NOS/c1-5-3-4-6(10-2)7(9)8-5/h3-4H,1-2H3,(H,8,9)
InChIKeyKLUBFYGLJSGXBM-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.41
Rot. Bonds1

About 6-methyl-3-methylsulfanyl-1H-pyridin-2-one

6-methyl-3-methylsulfanyl-1H-pyridin-2-one (PubChem CID 166973798) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 6-methyl-3-methylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-methylsulfanyl-1H-pyridin-2-one
PubChem CID166973798
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name6-methyl-3-methylsulfanyl-1H-pyridin-2-one
SMILESCSc1ccc(C)[nH]c1=O
InChIInChI=1S/C7H9NOS/c1-5-3-4-6(10-2)7(9)8-5/h3-4H,1-2H3,(H,8,9)
InChIKeyKLUBFYGLJSGXBM-UHFFFAOYSA-N
XLogP1.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-methylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-methylsulfanyl-1H-pyridin-2-one (CID 166973798) is 6-methyl-3-methylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-methylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-methylsulfanyl-1H-pyridin-2-one is CSc1ccc(C)[nH]c1=O.
What is the InChIKey of 6-methyl-3-methylsulfanyl-1H-pyridin-2-one?
The InChIKey is KLUBFYGLJSGXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-5-3-4-6(10-2)7(9)8-5/h3-4H,1-2H3,(H,8,9).
What are the key properties of 6-methyl-3-methylsulfanyl-1H-pyridin-2-one?
6-methyl-3-methylsulfanyl-1H-pyridin-2-one has a molecular weight of 155.22 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-methylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 166973798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).