8-methylsulfanylquinoline

C10H9NS — CID 698939

IUPAC8-methylsulfanylquinoline
SMILESCSc1cccc2cccnc12
InChIInChI=1S/C10H9NS/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3
InChIKeyMDHLUPGPSGUEAV-UHFFFAOYSA-N
MW175.26 g/mol
LogP2.96
Rot. Bonds1

About 8-methylsulfanylquinoline

8-methylsulfanylquinoline (PubChem CID 698939) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 8-methylsulfanylquinoline.

Molecular Properties

Compound Name8-methylsulfanylquinoline
PubChem CID698939
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name8-methylsulfanylquinoline
SMILESCSc1cccc2cccnc12
InChIInChI=1S/C10H9NS/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3
InChIKeyMDHLUPGPSGUEAV-UHFFFAOYSA-N
XLogP2.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methylsulfanylquinoline?
The IUPAC name of 8-methylsulfanylquinoline (CID 698939) is 8-methylsulfanylquinoline.
What is the SMILES notation for 8-methylsulfanylquinoline?
The canonical SMILES for 8-methylsulfanylquinoline is CSc1cccc2cccnc12.
What is the InChIKey of 8-methylsulfanylquinoline?
The InChIKey is MDHLUPGPSGUEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3.
What are the key properties of 8-methylsulfanylquinoline?
8-methylsulfanylquinoline has a molecular weight of 175.26 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfanylquinoline is sourced from PubChem (CID 698939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).