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

C14H12N2OS — CID 101038754

IUPAC4-amino-5-methoxy-10H-acridine-9-thione
SMILESCOc1cccc2c(=S)c3cccc(N)c3[nH]c12
InChIInChI=1S/C14H12N2OS/c1-17-11-7-3-5-9-13(11)16-12-8(14(9)18)4-2-6-10(12)15/h2-7H,15H2,1H3,(H,16,18)
InChIKeyCUQHZMXBWBTZTC-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.64
Rot. Bonds1

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

4-amino-5-methoxy-10H-acridine-9-thione (PubChem CID 101038754) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-amino-5-methoxy-10H-acridine-9-thione.

Molecular Properties

Compound Name4-amino-5-methoxy-10H-acridine-9-thione
PubChem CID101038754
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name4-amino-5-methoxy-10H-acridine-9-thione
SMILESCOc1cccc2c(=S)c3cccc(N)c3[nH]c12
InChIInChI=1S/C14H12N2OS/c1-17-11-7-3-5-9-13(11)16-12-8(14(9)18)4-2-6-10(12)15/h2-7H,15H2,1H3,(H,16,18)
InChIKeyCUQHZMXBWBTZTC-UHFFFAOYSA-N
XLogP3.64
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.64
H-Bond Donors ≤ 52
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-methoxy-10H-acridine-9-thione?
The IUPAC name of 4-amino-5-methoxy-10H-acridine-9-thione (CID 101038754) is 4-amino-5-methoxy-10H-acridine-9-thione.
What is the SMILES notation for 4-amino-5-methoxy-10H-acridine-9-thione?
The canonical SMILES for 4-amino-5-methoxy-10H-acridine-9-thione is COc1cccc2c(=S)c3cccc(N)c3[nH]c12.
What is the InChIKey of 4-amino-5-methoxy-10H-acridine-9-thione?
The InChIKey is CUQHZMXBWBTZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-17-11-7-3-5-9-13(11)16-12-8(14(9)18)4-2-6-10(12)15/h2-7H,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-5-methoxy-10H-acridine-9-thione?
4-amino-5-methoxy-10H-acridine-9-thione has a molecular weight of 256.33 g/mol, XLogP of 3.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methoxy-10H-acridine-9-thione is sourced from PubChem (CID 101038754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).