2-ethoxy-10H-acridine-9-thione

C15H13NOS — CID 13377696

IUPAC2-ethoxy-10H-acridine-9-thione
SMILESCCOc1ccc2[nH]c3ccccc3c(=S)c2c1
InChIInChI=1S/C15H13NOS/c1-2-17-10-7-8-14-12(9-10)15(18)11-5-3-4-6-13(11)16-14/h3-9H,2H2,1H3,(H,16,18)
InChIKeyICPYXBMBGOLYEH-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.45
Rot. Bonds2

About 2-ethoxy-10H-acridine-9-thione

2-ethoxy-10H-acridine-9-thione (PubChem CID 13377696) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-ethoxy-10H-acridine-9-thione.

Molecular Properties

Compound Name2-ethoxy-10H-acridine-9-thione
PubChem CID13377696
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name2-ethoxy-10H-acridine-9-thione
SMILESCCOc1ccc2[nH]c3ccccc3c(=S)c2c1
InChIInChI=1S/C15H13NOS/c1-2-17-10-7-8-14-12(9-10)15(18)11-5-3-4-6-13(11)16-14/h3-9H,2H2,1H3,(H,16,18)
InChIKeyICPYXBMBGOLYEH-UHFFFAOYSA-N
XLogP4.45
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-ethoxy-10H-acridine-9-thione?
The IUPAC name of 2-ethoxy-10H-acridine-9-thione (CID 13377696) is 2-ethoxy-10H-acridine-9-thione.
What is the SMILES notation for 2-ethoxy-10H-acridine-9-thione?
The canonical SMILES for 2-ethoxy-10H-acridine-9-thione is CCOc1ccc2[nH]c3ccccc3c(=S)c2c1.
What is the InChIKey of 2-ethoxy-10H-acridine-9-thione?
The InChIKey is ICPYXBMBGOLYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-2-17-10-7-8-14-12(9-10)15(18)11-5-3-4-6-13(11)16-14/h3-9H,2H2,1H3,(H,16,18).
What are the key properties of 2-ethoxy-10H-acridine-9-thione?
2-ethoxy-10H-acridine-9-thione has a molecular weight of 255.34 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-10H-acridine-9-thione is sourced from PubChem (CID 13377696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).