4-ethylthioxanthen-9-one

C15H12OS — CID 10490238

IUPAC4-ethylthioxanthen-9-one
SMILESCCc1cccc2c(=O)c3ccccc3sc12
InChIInChI=1S/C15H12OS/c1-2-10-6-5-8-12-14(16)11-7-3-4-9-13(11)17-15(10)12/h3-9H,2H2,1H3
InChIKeyZOYQHXXGRVSETB-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.98
Rot. Bonds1

About 4-ethylthioxanthen-9-one

4-ethylthioxanthen-9-one (PubChem CID 10490238) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-ethylthioxanthen-9-one.

Molecular Properties

Compound Name4-ethylthioxanthen-9-one
PubChem CID10490238
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name4-ethylthioxanthen-9-one
SMILESCCc1cccc2c(=O)c3ccccc3sc12
InChIInChI=1S/C15H12OS/c1-2-10-6-5-8-12-14(16)11-7-3-4-9-13(11)17-15(10)12/h3-9H,2H2,1H3
InChIKeyZOYQHXXGRVSETB-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylthioxanthen-9-one?
The IUPAC name of 4-ethylthioxanthen-9-one (CID 10490238) is 4-ethylthioxanthen-9-one.
What is the SMILES notation for 4-ethylthioxanthen-9-one?
The canonical SMILES for 4-ethylthioxanthen-9-one is CCc1cccc2c(=O)c3ccccc3sc12.
What is the InChIKey of 4-ethylthioxanthen-9-one?
The InChIKey is ZOYQHXXGRVSETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS/c1-2-10-6-5-8-12-14(16)11-7-3-4-9-13(11)17-15(10)12/h3-9H,2H2,1H3.
What are the key properties of 4-ethylthioxanthen-9-one?
4-ethylthioxanthen-9-one has a molecular weight of 240.33 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylthioxanthen-9-one is sourced from PubChem (CID 10490238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).