6-fluoro-2-methylsulfanylxanthen-9-one

C14H9FO2S — CID 20555907

IUPAC6-fluoro-2-methylsulfanylxanthen-9-one
SMILESCSc1ccc2oc3cc(F)ccc3c(=O)c2c1
InChIInChI=1S/C14H9FO2S/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3
InChIKeyDJCQWVSGDRBTSM-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.81
Rot. Bonds1

About 6-fluoro-2-methylsulfanylxanthen-9-one

6-fluoro-2-methylsulfanylxanthen-9-one (PubChem CID 20555907) has the molecular formula C14H9FO2S and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-fluoro-2-methylsulfanylxanthen-9-one.

Molecular Properties

Compound Name6-fluoro-2-methylsulfanylxanthen-9-one
PubChem CID20555907
Molecular FormulaC14H9FO2S
Molecular Weight260.29 g/mol
Exact Mass260.03
IUPAC Name6-fluoro-2-methylsulfanylxanthen-9-one
SMILESCSc1ccc2oc3cc(F)ccc3c(=O)c2c1
InChIInChI=1S/C14H9FO2S/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3
InChIKeyDJCQWVSGDRBTSM-UHFFFAOYSA-N
XLogP3.81
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-fluoro-2-methylsulfanylxanthen-9-one?
The IUPAC name of 6-fluoro-2-methylsulfanylxanthen-9-one (CID 20555907) is 6-fluoro-2-methylsulfanylxanthen-9-one.
What is the SMILES notation for 6-fluoro-2-methylsulfanylxanthen-9-one?
The canonical SMILES for 6-fluoro-2-methylsulfanylxanthen-9-one is CSc1ccc2oc3cc(F)ccc3c(=O)c2c1.
What is the InChIKey of 6-fluoro-2-methylsulfanylxanthen-9-one?
The InChIKey is DJCQWVSGDRBTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO2S/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3.
What are the key properties of 6-fluoro-2-methylsulfanylxanthen-9-one?
6-fluoro-2-methylsulfanylxanthen-9-one has a molecular weight of 260.29 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methylsulfanylxanthen-9-one is sourced from PubChem (CID 20555907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).