3-methylsulfanylquinoline

C10H9NS — CID 600316

IUPAC3-methylsulfanylquinoline
SMILESCSc1cnc2ccccc2c1
InChIInChI=1S/C10H9NS/c1-12-9-6-8-4-2-3-5-10(8)11-7-9/h2-7H,1H3
InChIKeyGYORPPNTMWUJCH-UHFFFAOYSA-N
MW175.26 g/mol
LogP2.96
Rot. Bonds1

About 3-methylsulfanylquinoline

3-methylsulfanylquinoline (PubChem CID 600316) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 3-methylsulfanylquinoline.

Molecular Properties

Compound Name3-methylsulfanylquinoline
PubChem CID600316
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name3-methylsulfanylquinoline
SMILESCSc1cnc2ccccc2c1
InChIInChI=1S/C10H9NS/c1-12-9-6-8-4-2-3-5-10(8)11-7-9/h2-7H,1H3
InChIKeyGYORPPNTMWUJCH-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 3-methylsulfanylquinoline?
The IUPAC name of 3-methylsulfanylquinoline (CID 600316) is 3-methylsulfanylquinoline.
What is the SMILES notation for 3-methylsulfanylquinoline?
The canonical SMILES for 3-methylsulfanylquinoline is CSc1cnc2ccccc2c1.
What is the InChIKey of 3-methylsulfanylquinoline?
The InChIKey is GYORPPNTMWUJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-12-9-6-8-4-2-3-5-10(8)11-7-9/h2-7H,1H3.
What are the key properties of 3-methylsulfanylquinoline?
3-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 3-methylsulfanylquinoline is sourced from PubChem (CID 600316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).