4-amino-5-hydroxy-10H-acridine-9-thione

C13H10N2OS — CID 101038753

IUPAC4-amino-5-hydroxy-10H-acridine-9-thione
SMILESNc1cccc2c(=S)c3cccc(O)c3[nH]c12
InChIInChI=1S/C13H10N2OS/c14-9-5-1-3-7-11(9)15-12-8(13(7)17)4-2-6-10(12)16/h1-6,16H,14H2,(H,15,17)
InChIKeyVKFHWPWJBDIAAG-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.34
Rot. Bonds

About 4-amino-5-hydroxy-10H-acridine-9-thione

4-amino-5-hydroxy-10H-acridine-9-thione (PubChem CID 101038753) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-amino-5-hydroxy-10H-acridine-9-thione.

Molecular Properties

Compound Name4-amino-5-hydroxy-10H-acridine-9-thione
PubChem CID101038753
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name4-amino-5-hydroxy-10H-acridine-9-thione
SMILESNc1cccc2c(=S)c3cccc(O)c3[nH]c12
InChIInChI=1S/C13H10N2OS/c14-9-5-1-3-7-11(9)15-12-8(13(7)17)4-2-6-10(12)16/h1-6,16H,14H2,(H,15,17)
InChIKeyVKFHWPWJBDIAAG-UHFFFAOYSA-N
XLogP3.34
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 4-amino-5-hydroxy-10H-acridine-9-thione?
The IUPAC name of 4-amino-5-hydroxy-10H-acridine-9-thione (CID 101038753) is 4-amino-5-hydroxy-10H-acridine-9-thione.
What is the SMILES notation for 4-amino-5-hydroxy-10H-acridine-9-thione?
The canonical SMILES for 4-amino-5-hydroxy-10H-acridine-9-thione is Nc1cccc2c(=S)c3cccc(O)c3[nH]c12.
What is the InChIKey of 4-amino-5-hydroxy-10H-acridine-9-thione?
The InChIKey is VKFHWPWJBDIAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c14-9-5-1-3-7-11(9)15-12-8(13(7)17)4-2-6-10(12)16/h1-6,16H,14H2,(H,15,17).
What are the key properties of 4-amino-5-hydroxy-10H-acridine-9-thione?
4-amino-5-hydroxy-10H-acridine-9-thione has a molecular weight of 242.30 g/mol, XLogP of 3.34, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-hydroxy-10H-acridine-9-thione is sourced from PubChem (CID 101038753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).