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

C5H5NO2S — CID 90848289

IUPAC4-hydroxy-3-sulfanyl-1H-pyridin-2-one
SMILESO=c1[nH]ccc(O)c1S
InChIInChI=1S/C5H5NO2S/c7-3-1-2-6-5(8)4(3)9/h1-2,9H,(H2,6,7,8)
InChIKeyMBADQRICOFZIJY-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.37
Rot. Bonds

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

4-hydroxy-3-sulfanyl-1H-pyridin-2-one (PubChem CID 90848289) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is 4-hydroxy-3-sulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-sulfanyl-1H-pyridin-2-one
PubChem CID90848289
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Name4-hydroxy-3-sulfanyl-1H-pyridin-2-one
SMILESO=c1[nH]ccc(O)c1S
InChIInChI=1S/C5H5NO2S/c7-3-1-2-6-5(8)4(3)9/h1-2,9H,(H2,6,7,8)
InChIKeyMBADQRICOFZIJY-UHFFFAOYSA-N
XLogP0.37
TPSA53.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-2(1H)-pyridinone
CID 54696004
3,4-Dihydroxypyridin-2(1H)-one
CID 54707960
4-Hydroxy-3-iodopyridin-2(1H)-one
CID 54719033
3-fluoro-4-hydroxy-1H-pyridin-2-one
CID 68536861
4-hydroxy-2-oxo-1H-pyridine-3-sulfonic acid
CID 54732474
CID 87786263
CID 87786263
3-hydroxy-4-sulfanyl-1H-pyridin-2-one
CID 140391123
ethane;4-hydroxy-1H-pyridin-2-one
CID 144155426
4-hydroxy-1H-pyridin-2-one;methane
CID 161801696
3,4-dihydroxy-1H-pyridin-2-one;sulfane
CID 172793622
4-hydroxy-1H-pyridin-2-one;hydrochloride
CID 174631763
3-deuterio-4-hydroxy-1H-pyridin-2-one
CID 175746473

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-sulfanyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-sulfanyl-1H-pyridin-2-one (CID 90848289) is 4-hydroxy-3-sulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-sulfanyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-sulfanyl-1H-pyridin-2-one is O=c1[nH]ccc(O)c1S.
What is the InChIKey of 4-hydroxy-3-sulfanyl-1H-pyridin-2-one?
The InChIKey is MBADQRICOFZIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c7-3-1-2-6-5(8)4(3)9/h1-2,9H,(H2,6,7,8).
What are the key properties of 4-hydroxy-3-sulfanyl-1H-pyridin-2-one?
4-hydroxy-3-sulfanyl-1H-pyridin-2-one has a molecular weight of 143.17 g/mol, XLogP of 0.37, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-sulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 90848289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).