3-(sulfanylidenemethylidene)pyridin-2-one

C6H3NOS — CID 22113850

IUPAC3-(sulfanylidenemethylidene)pyridin-2-one
SMILESO=C1N=CC=CC1=C=S
InChIInChI=1S/C6H3NOS/c8-6-5(4-9)2-1-3-7-6/h1-3H
InChIKeyFMXHICPXXXSBBY-UHFFFAOYSA-N
MW137.16 g/mol
LogP0.68
Rot. Bonds

About 3-(sulfanylidenemethylidene)pyridin-2-one

3-(sulfanylidenemethylidene)pyridin-2-one (PubChem CID 22113850) has the molecular formula C6H3NOS and a molecular weight of 137.16 g/mol. Its IUPAC name is 3-(sulfanylidenemethylidene)pyridin-2-one.

Molecular Properties

Compound Name3-(sulfanylidenemethylidene)pyridin-2-one
PubChem CID22113850
Molecular FormulaC6H3NOS
Molecular Weight137.16 g/mol
Exact Mass136.99
IUPAC Name3-(sulfanylidenemethylidene)pyridin-2-one
SMILESO=C1N=CC=CC1=C=S
InChIInChI=1S/C6H3NOS/c8-6-5(4-9)2-1-3-7-6/h1-3H
InChIKeyFMXHICPXXXSBBY-UHFFFAOYSA-N
XLogP0.68
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Thioxopyridone
CID 21881612
Carbonyl pyridone
CID 77520314
3-Methylidenepyridin-2-one
CID 18522756
(2-Sulfanylidene-3-pyridinylidene)methanone
CID 45033361
3-Ethenylidenepyridin-2-one
CID 77788373

Frequently Asked Questions

What is the IUPAC name of 3-(sulfanylidenemethylidene)pyridin-2-one?
The IUPAC name of 3-(sulfanylidenemethylidene)pyridin-2-one (CID 22113850) is 3-(sulfanylidenemethylidene)pyridin-2-one.
What is the SMILES notation for 3-(sulfanylidenemethylidene)pyridin-2-one?
The canonical SMILES for 3-(sulfanylidenemethylidene)pyridin-2-one is O=C1N=CC=CC1=C=S.
What is the InChIKey of 3-(sulfanylidenemethylidene)pyridin-2-one?
The InChIKey is FMXHICPXXXSBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3NOS/c8-6-5(4-9)2-1-3-7-6/h1-3H.
What are the key properties of 3-(sulfanylidenemethylidene)pyridin-2-one?
3-(sulfanylidenemethylidene)pyridin-2-one has a molecular weight of 137.16 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfanylidenemethylidene)pyridin-2-one is sourced from PubChem (CID 22113850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).