10H-acridine-9-thione

C13H9NS — CID 2818474

IUPAC10H-acridine-9-thione
SMILESS=c1c2ccccc2[nH]c2ccccc12
InChIInChI=1S/C13H9NS/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15)
InChIKeyFLCWLOFMVFESNI-UHFFFAOYSA-N
MW211.29 g/mol
LogP4.05
Rot. Bonds

About 10H-acridine-9-thione

10H-acridine-9-thione (PubChem CID 2818474) has the molecular formula C13H9NS and a molecular weight of 211.29 g/mol. Its IUPAC name is 10H-acridine-9-thione.

Molecular Properties

Compound Name10H-acridine-9-thione
PubChem CID2818474
Molecular FormulaC13H9NS
Molecular Weight211.29 g/mol
Exact Mass211.05
IUPAC Name10H-acridine-9-thione
SMILESS=c1c2ccccc2[nH]c2ccccc12
InChIInChI=1S/C13H9NS/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15)
InChIKeyFLCWLOFMVFESNI-UHFFFAOYSA-N
XLogP4.05
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 10H-acridine-9-thione?
The IUPAC name of 10H-acridine-9-thione (CID 2818474) is 10H-acridine-9-thione.
What is the SMILES notation for 10H-acridine-9-thione?
The canonical SMILES for 10H-acridine-9-thione is S=c1c2ccccc2[nH]c2ccccc12.
What is the InChIKey of 10H-acridine-9-thione?
The InChIKey is FLCWLOFMVFESNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NS/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15).
What are the key properties of 10H-acridine-9-thione?
10H-acridine-9-thione has a molecular weight of 211.29 g/mol, XLogP of 4.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-acridine-9-thione is sourced from PubChem (CID 2818474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).