2-chloro-4-ethylthioxanthen-9-one

C15H11ClOS — CID 71344920

IUPAC2-chloro-4-ethylthioxanthen-9-one
SMILESCCc1cc(Cl)cc2c(=O)c3ccccc3sc12
InChIInChI=1S/C15H11ClOS/c1-2-9-7-10(16)8-12-14(17)11-5-3-4-6-13(11)18-15(9)12/h3-8H,2H2,1H3
InChIKeyGHKKQMQFZSOKRD-UHFFFAOYSA-N
MW274.77 g/mol
LogP4.63
Rot. Bonds1

About 2-chloro-4-ethylthioxanthen-9-one

2-chloro-4-ethylthioxanthen-9-one (PubChem CID 71344920) has the molecular formula C15H11ClOS and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-chloro-4-ethylthioxanthen-9-one.

Molecular Properties

Compound Name2-chloro-4-ethylthioxanthen-9-one
PubChem CID71344920
Molecular FormulaC15H11ClOS
Molecular Weight274.77 g/mol
Exact Mass274.02
IUPAC Name2-chloro-4-ethylthioxanthen-9-one
SMILESCCc1cc(Cl)cc2c(=O)c3ccccc3sc12
InChIInChI=1S/C15H11ClOS/c1-2-9-7-10(16)8-12-14(17)11-5-3-4-6-13(11)18-15(9)12/h3-8H,2H2,1H3
InChIKeyGHKKQMQFZSOKRD-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 54.63
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 2-chloro-4-ethylthioxanthen-9-one?
The IUPAC name of 2-chloro-4-ethylthioxanthen-9-one (CID 71344920) is 2-chloro-4-ethylthioxanthen-9-one.
What is the SMILES notation for 2-chloro-4-ethylthioxanthen-9-one?
The canonical SMILES for 2-chloro-4-ethylthioxanthen-9-one is CCc1cc(Cl)cc2c(=O)c3ccccc3sc12.
What is the InChIKey of 2-chloro-4-ethylthioxanthen-9-one?
The InChIKey is GHKKQMQFZSOKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClOS/c1-2-9-7-10(16)8-12-14(17)11-5-3-4-6-13(11)18-15(9)12/h3-8H,2H2,1H3.
What are the key properties of 2-chloro-4-ethylthioxanthen-9-one?
2-chloro-4-ethylthioxanthen-9-one has a molecular weight of 274.77 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethylthioxanthen-9-one is sourced from PubChem (CID 71344920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).