5-(methylsulfanylmethyl)-1H-pyridin-2-one

C7H9NOS — CID 143124265

IUPAC5-(methylsulfanylmethyl)-1H-pyridin-2-one
SMILESCSCc1ccc(=O)[nH]c1
InChIInChI=1S/C7H9NOS/c1-10-5-6-2-3-7(9)8-4-6/h2-4H,5H2,1H3,(H,8,9)
InChIKeyZPKOQLKWEQRMIQ-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.24
Rot. Bonds2

About 5-(methylsulfanylmethyl)-1H-pyridin-2-one

5-(methylsulfanylmethyl)-1H-pyridin-2-one (PubChem CID 143124265) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 5-(methylsulfanylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(methylsulfanylmethyl)-1H-pyridin-2-one
PubChem CID143124265
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name5-(methylsulfanylmethyl)-1H-pyridin-2-one
SMILESCSCc1ccc(=O)[nH]c1
InChIInChI=1S/C7H9NOS/c1-10-5-6-2-3-7(9)8-4-6/h2-4H,5H2,1H3,(H,8,9)
InChIKeyZPKOQLKWEQRMIQ-UHFFFAOYSA-N
XLogP1.24
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfanylmethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(methylsulfanylmethyl)-1H-pyridin-2-one (CID 143124265) is 5-(methylsulfanylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(methylsulfanylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(methylsulfanylmethyl)-1H-pyridin-2-one is CSCc1ccc(=O)[nH]c1.
What is the InChIKey of 5-(methylsulfanylmethyl)-1H-pyridin-2-one?
The InChIKey is ZPKOQLKWEQRMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-10-5-6-2-3-7(9)8-4-6/h2-4H,5H2,1H3,(H,8,9).
What are the key properties of 5-(methylsulfanylmethyl)-1H-pyridin-2-one?
5-(methylsulfanylmethyl)-1H-pyridin-2-one has a molecular weight of 155.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfanylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 143124265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).