3-sulfanylidenequinolin-2-one

C9H5NOS — CID 22250100

IUPAC3-sulfanylidenequinolin-2-one
SMILESO=C1N=c2ccccc2=CC1=S
InChIInChI=1S/C9H5NOS/c11-9-8(12)5-6-3-1-2-4-7(6)10-9/h1-5H
InChIKeyCQGVJDLWIFCSML-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.00
Rot. Bonds

About 3-sulfanylidenequinolin-2-one

3-sulfanylidenequinolin-2-one (PubChem CID 22250100) has the molecular formula C9H5NOS and a molecular weight of 175.21 g/mol. Its IUPAC name is 3-sulfanylidenequinolin-2-one.

Molecular Properties

Compound Name3-sulfanylidenequinolin-2-one
PubChem CID22250100
Molecular FormulaC9H5NOS
Molecular Weight175.21 g/mol
Exact Mass175.01
IUPAC Name3-sulfanylidenequinolin-2-one
SMILESO=C1N=c2ccccc2=CC1=S
InChIInChI=1S/C9H5NOS/c11-9-8(12)5-6-3-1-2-4-7(6)10-9/h1-5H
InChIKeyCQGVJDLWIFCSML-UHFFFAOYSA-N
XLogP-0.00
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.00
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 3-sulfanylidenequinolin-2-one?
The IUPAC name of 3-sulfanylidenequinolin-2-one (CID 22250100) is 3-sulfanylidenequinolin-2-one.
What is the SMILES notation for 3-sulfanylidenequinolin-2-one?
The canonical SMILES for 3-sulfanylidenequinolin-2-one is O=C1N=c2ccccc2=CC1=S.
What is the InChIKey of 3-sulfanylidenequinolin-2-one?
The InChIKey is CQGVJDLWIFCSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NOS/c11-9-8(12)5-6-3-1-2-4-7(6)10-9/h1-5H.
What are the key properties of 3-sulfanylidenequinolin-2-one?
3-sulfanylidenequinolin-2-one has a molecular weight of 175.21 g/mol, XLogP of -0.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanylidenequinolin-2-one is sourced from PubChem (CID 22250100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).