3-sulfanyloxy-1H-pyridin-2-one

C5H5NO2S — CID 141141178

IUPAC3-sulfanyloxy-1H-pyridin-2-one
SMILESO=c1[nH]cccc1OS
InChIInChI=1S/C5H5NO2S/c7-5-4(8-9)2-1-3-6-5/h1-3,9H,(H,6,7)
InChIKeyRJDSDWWXUVHGOW-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.60
Rot. Bonds1

About 3-sulfanyloxy-1H-pyridin-2-one

3-sulfanyloxy-1H-pyridin-2-one (PubChem CID 141141178) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is 3-sulfanyloxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-sulfanyloxy-1H-pyridin-2-one
PubChem CID141141178
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Name3-sulfanyloxy-1H-pyridin-2-one
SMILESO=c1[nH]cccc1OS
InChIInChI=1S/C5H5NO2S/c7-5-4(8-9)2-1-3-6-5/h1-3,9H,(H,6,7)
InChIKeyRJDSDWWXUVHGOW-UHFFFAOYSA-N
XLogP0.60
TPSA42.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydroxypyridine
CID 28115
2,3-Pyridinediol, 5-chloro-
CID 97629
3-Methoxy-2-pyridone
CID 88731
(2-oxo-1H-pyridin-3-yl) methanesulfonate
CID 320597
Ctk2B7197
CID 12307860
3,4-Dihydroxypyridin-2(1H)-one
CID 54707960
2,3-Dihydroxypyridine hydrochloride
CID 57468247
4-Fluoro-3-hydroxy-1,2-dihydropyridin-2-one
CID 54037580
5-fluoro-3-hydroxy-1H-pyridin-2-one
CID 131171479
(2-oxo-1H-pyridin-3-yl) hypofluorite
CID 177034664
3-hydroxy-1H-pyridin-2-one;iron(3+)
CID 18688763
zinc 3-hydroxy-1H-pyridin-2-one
CID 19870745

Frequently Asked Questions

What is the IUPAC name of 3-sulfanyloxy-1H-pyridin-2-one?
The IUPAC name of 3-sulfanyloxy-1H-pyridin-2-one (CID 141141178) is 3-sulfanyloxy-1H-pyridin-2-one.
What is the SMILES notation for 3-sulfanyloxy-1H-pyridin-2-one?
The canonical SMILES for 3-sulfanyloxy-1H-pyridin-2-one is O=c1[nH]cccc1OS.
What is the InChIKey of 3-sulfanyloxy-1H-pyridin-2-one?
The InChIKey is RJDSDWWXUVHGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c7-5-4(8-9)2-1-3-6-5/h1-3,9H,(H,6,7).
What are the key properties of 3-sulfanyloxy-1H-pyridin-2-one?
3-sulfanyloxy-1H-pyridin-2-one has a molecular weight of 143.17 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanyloxy-1H-pyridin-2-one is sourced from PubChem (CID 141141178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).