9-methylsulfanylanthracene

C15H12S — CID 11064094

IUPAC9-methylsulfanylanthracene
SMILESCSc1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H12S/c1-16-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3
InChIKeyLAWLABOLIGYLRG-UHFFFAOYSA-N
MW224.33 g/mol
LogP4.71
Rot. Bonds1

About 9-methylsulfanylanthracene

9-methylsulfanylanthracene (PubChem CID 11064094) has the molecular formula C15H12S and a molecular weight of 224.33 g/mol. Its IUPAC name is 9-methylsulfanylanthracene.

Molecular Properties

Compound Name9-methylsulfanylanthracene
PubChem CID11064094
Molecular FormulaC15H12S
Molecular Weight224.33 g/mol
Exact Mass224.07
IUPAC Name9-methylsulfanylanthracene
SMILESCSc1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H12S/c1-16-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3
InChIKeyLAWLABOLIGYLRG-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 9-methylsulfanylanthracene?
The IUPAC name of 9-methylsulfanylanthracene (CID 11064094) is 9-methylsulfanylanthracene.
What is the SMILES notation for 9-methylsulfanylanthracene?
The canonical SMILES for 9-methylsulfanylanthracene is CSc1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-methylsulfanylanthracene?
The InChIKey is LAWLABOLIGYLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12S/c1-16-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3.
What are the key properties of 9-methylsulfanylanthracene?
9-methylsulfanylanthracene has a molecular weight of 224.33 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylsulfanylanthracene is sourced from PubChem (CID 11064094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).