4-methyl-3-sulfanyl-1H-pyridin-2-one

C6H7NOS — CID 87709229

IUPAC4-methyl-3-sulfanyl-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1S
InChIInChI=1S/C6H7NOS/c1-4-2-3-7-6(8)5(4)9/h2-3,9H,1H3,(H,7,8)
InChIKeyWIBHKRKASPBZCC-UHFFFAOYSA-N
MW141.19 g/mol
LogP0.97
Rot. Bonds

About 4-methyl-3-sulfanyl-1H-pyridin-2-one

4-methyl-3-sulfanyl-1H-pyridin-2-one (PubChem CID 87709229) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 4-methyl-3-sulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-3-sulfanyl-1H-pyridin-2-one
PubChem CID87709229
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name4-methyl-3-sulfanyl-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1S
InChIInChI=1S/C6H7NOS/c1-4-2-3-7-6(8)5(4)9/h2-3,9H,1H3,(H,7,8)
InChIKeyWIBHKRKASPBZCC-UHFFFAOYSA-N
XLogP0.97
TPSA32.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-4-methylpyridine
CID 280741
3,4-Dimethylpyridin-2(1H)-one
CID 13140339
2(1H)-Pyridinone, 4-mercapto-
CID 20395055
3-Mercaptopyridin-2(1H)-one
CID 10606752
2-Hydroxypyridine-4-carbothioamide
CID 43165068
3-fluoro-4-methylpyridin-2(1H)-one
CID 45116214
3-methylsulfanyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 16036872
4-Ethenyl-3-fluoro-1,2-dihydropyridin-2-one
CID 74892668
4-Ethenyl-2(1H)-pyridinone
CID 9964085
5-methyl-4-sulfanyl-1H-pyridin-2-one
CID 20395061
3-methyl-4-sulfanyl-1H-pyridin-2-one
CID 20395062
3-Iodo-4-methylpyridin-2(1H)-one
CID 70086819

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-sulfanyl-1H-pyridin-2-one?
The IUPAC name of 4-methyl-3-sulfanyl-1H-pyridin-2-one (CID 87709229) is 4-methyl-3-sulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-3-sulfanyl-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-3-sulfanyl-1H-pyridin-2-one is Cc1cc[nH]c(=O)c1S.
What is the InChIKey of 4-methyl-3-sulfanyl-1H-pyridin-2-one?
The InChIKey is WIBHKRKASPBZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c1-4-2-3-7-6(8)5(4)9/h2-3,9H,1H3,(H,7,8).
What are the key properties of 4-methyl-3-sulfanyl-1H-pyridin-2-one?
4-methyl-3-sulfanyl-1H-pyridin-2-one has a molecular weight of 141.19 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-sulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 87709229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).