1-(disulfanyl)-3-methoxypyridin-2-one

C6H7NO2S2 — CID 175619878

IUPAC1-(disulfanyl)-3-methoxypyridin-2-one
SMILESCOc1cccn(SS)c1=O
InChIInChI=1S/C6H7NO2S2/c1-9-5-3-2-4-7(11-10)6(5)8/h2-4,10H,1H3
InChIKeyJNKPWVPJTWYSLL-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.20
Rot. Bonds2

About 1-(disulfanyl)-3-methoxypyridin-2-one

1-(disulfanyl)-3-methoxypyridin-2-one (PubChem CID 175619878) has the molecular formula C6H7NO2S2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(disulfanyl)-3-methoxypyridin-2-one.

Molecular Properties

Compound Name1-(disulfanyl)-3-methoxypyridin-2-one
PubChem CID175619878
Molecular FormulaC6H7NO2S2
Molecular Weight189.26 g/mol
Exact Mass188.99
IUPAC Name1-(disulfanyl)-3-methoxypyridin-2-one
SMILESCOc1cccn(SS)c1=O
InChIInChI=1S/C6H7NO2S2/c1-9-5-3-2-4-7(11-10)6(5)8/h2-4,10H,1H3
InChIKeyJNKPWVPJTWYSLL-UHFFFAOYSA-N
XLogP1.20
TPSA31.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)-3-methoxypyridin-2-one?
The IUPAC name of 1-(disulfanyl)-3-methoxypyridin-2-one (CID 175619878) is 1-(disulfanyl)-3-methoxypyridin-2-one.
What is the SMILES notation for 1-(disulfanyl)-3-methoxypyridin-2-one?
The canonical SMILES for 1-(disulfanyl)-3-methoxypyridin-2-one is COc1cccn(SS)c1=O.
What is the InChIKey of 1-(disulfanyl)-3-methoxypyridin-2-one?
The InChIKey is JNKPWVPJTWYSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S2/c1-9-5-3-2-4-7(11-10)6(5)8/h2-4,10H,1H3.
What are the key properties of 1-(disulfanyl)-3-methoxypyridin-2-one?
1-(disulfanyl)-3-methoxypyridin-2-one has a molecular weight of 189.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)-3-methoxypyridin-2-one is sourced from PubChem (CID 175619878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).