1-methyl-4-sulfanylpyridin-2-one

C6H7NOS — CID 54221985

IUPAC1-methyl-4-sulfanylpyridin-2-one
SMILESCn1ccc(S)cc1=O
InChIInChI=1S/C6H7NOS/c1-7-3-2-5(9)4-6(7)8/h2-4,9H,1H3
InChIKeyQDGDQSOLYQAQPE-UHFFFAOYSA-N
MW141.19 g/mol
LogP0.67
Rot. Bonds

About 1-methyl-4-sulfanylpyridin-2-one

1-methyl-4-sulfanylpyridin-2-one (PubChem CID 54221985) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 1-methyl-4-sulfanylpyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-sulfanylpyridin-2-one
PubChem CID54221985
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name1-methyl-4-sulfanylpyridin-2-one
SMILESCn1ccc(S)cc1=O
InChIInChI=1S/C6H7NOS/c1-7-3-2-5(9)4-6(7)8/h2-4,9H,1H3
InChIKeyQDGDQSOLYQAQPE-UHFFFAOYSA-N
XLogP0.67
TPSA22.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-sulfanylpyridin-2-one?
The IUPAC name of 1-methyl-4-sulfanylpyridin-2-one (CID 54221985) is 1-methyl-4-sulfanylpyridin-2-one.
What is the SMILES notation for 1-methyl-4-sulfanylpyridin-2-one?
The canonical SMILES for 1-methyl-4-sulfanylpyridin-2-one is Cn1ccc(S)cc1=O.
What is the InChIKey of 1-methyl-4-sulfanylpyridin-2-one?
The InChIKey is QDGDQSOLYQAQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c1-7-3-2-5(9)4-6(7)8/h2-4,9H,1H3.
What are the key properties of 1-methyl-4-sulfanylpyridin-2-one?
1-methyl-4-sulfanylpyridin-2-one has a molecular weight of 141.19 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-sulfanylpyridin-2-one is sourced from PubChem (CID 54221985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).