10-hydroxyacridine-9-thione

C13H9NOS — CID 10331326

IUPAC10-hydroxyacridine-9-thione
SMILESOn1c2ccccc2c(=S)c2ccccc21
InChIInChI=1S/C13H9NOS/c15-14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)14/h1-8,15H
InChIKeyWLAYZAQFUWVFGK-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.76
Rot. Bonds

About 10-hydroxyacridine-9-thione

10-hydroxyacridine-9-thione (PubChem CID 10331326) has the molecular formula C13H9NOS and a molecular weight of 227.29 g/mol. Its IUPAC name is 10-hydroxyacridine-9-thione.

Molecular Properties

Compound Name10-hydroxyacridine-9-thione
PubChem CID10331326
Molecular FormulaC13H9NOS
Molecular Weight227.29 g/mol
Exact Mass227.04
IUPAC Name10-hydroxyacridine-9-thione
SMILESOn1c2ccccc2c(=S)c2ccccc21
InChIInChI=1S/C13H9NOS/c15-14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)14/h1-8,15H
InChIKeyWLAYZAQFUWVFGK-UHFFFAOYSA-N
XLogP3.76
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxyacridine-9-thione?
The IUPAC name of 10-hydroxyacridine-9-thione (CID 10331326) is 10-hydroxyacridine-9-thione.
What is the SMILES notation for 10-hydroxyacridine-9-thione?
The canonical SMILES for 10-hydroxyacridine-9-thione is On1c2ccccc2c(=S)c2ccccc21.
What is the InChIKey of 10-hydroxyacridine-9-thione?
The InChIKey is WLAYZAQFUWVFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS/c15-14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)14/h1-8,15H.
What are the key properties of 10-hydroxyacridine-9-thione?
10-hydroxyacridine-9-thione has a molecular weight of 227.29 g/mol, XLogP of 3.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxyacridine-9-thione is sourced from PubChem (CID 10331326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).