1-ethyl-4-sulfanylidenepyridin-2-one

C7H9NOS — CID 19826787

IUPAC1-ethyl-4-sulfanylidenepyridin-2-one
SMILESCCN1C=CC(=S)CC1=O
InChIInChI=1S/C7H9NOS/c1-2-8-4-3-6(10)5-7(8)9/h3-4H,2,5H2,1H3
InChIKeyQPQGDPWKMRNABO-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.12
Rot. Bonds1

About 1-ethyl-4-sulfanylidenepyridin-2-one

1-ethyl-4-sulfanylidenepyridin-2-one (PubChem CID 19826787) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-ethyl-4-sulfanylidenepyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-sulfanylidenepyridin-2-one
PubChem CID19826787
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name1-ethyl-4-sulfanylidenepyridin-2-one
SMILESCCN1C=CC(=S)CC1=O
InChIInChI=1S/C7H9NOS/c1-2-8-4-3-6(10)5-7(8)9/h3-4H,2,5H2,1H3
InChIKeyQPQGDPWKMRNABO-UHFFFAOYSA-N
XLogP1.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-sulfanylidenepyridin-2-one?
The IUPAC name of 1-ethyl-4-sulfanylidenepyridin-2-one (CID 19826787) is 1-ethyl-4-sulfanylidenepyridin-2-one.
What is the SMILES notation for 1-ethyl-4-sulfanylidenepyridin-2-one?
The canonical SMILES for 1-ethyl-4-sulfanylidenepyridin-2-one is CCN1C=CC(=S)CC1=O.
What is the InChIKey of 1-ethyl-4-sulfanylidenepyridin-2-one?
The InChIKey is QPQGDPWKMRNABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-2-8-4-3-6(10)5-7(8)9/h3-4H,2,5H2,1H3.
What are the key properties of 1-ethyl-4-sulfanylidenepyridin-2-one?
1-ethyl-4-sulfanylidenepyridin-2-one has a molecular weight of 155.22 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-sulfanylidenepyridin-2-one is sourced from PubChem (CID 19826787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).