5-methylsulfanylquinoline

C10H9NS — CID 23188048

IUPAC5-methylsulfanylquinoline
SMILESCSc1cccc2ncccc12
InChIInChI=1S/C10H9NS/c1-12-10-6-2-5-9-8(10)4-3-7-11-9/h2-7H,1H3
InChIKeyBDLZEBCBFTUAHD-UHFFFAOYSA-N
MW175.26 g/mol
LogP2.96
Rot. Bonds1

About 5-methylsulfanylquinoline

5-methylsulfanylquinoline (PubChem CID 23188048) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 5-methylsulfanylquinoline.

Molecular Properties

Compound Name5-methylsulfanylquinoline
PubChem CID23188048
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name5-methylsulfanylquinoline
SMILESCSc1cccc2ncccc12
InChIInChI=1S/C10H9NS/c1-12-10-6-2-5-9-8(10)4-3-7-11-9/h2-7H,1H3
InChIKeyBDLZEBCBFTUAHD-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 5-methylsulfanylquinoline?
The IUPAC name of 5-methylsulfanylquinoline (CID 23188048) is 5-methylsulfanylquinoline.
What is the SMILES notation for 5-methylsulfanylquinoline?
The canonical SMILES for 5-methylsulfanylquinoline is CSc1cccc2ncccc12.
What is the InChIKey of 5-methylsulfanylquinoline?
The InChIKey is BDLZEBCBFTUAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-12-10-6-2-5-9-8(10)4-3-7-11-9/h2-7H,1H3.
What are the key properties of 5-methylsulfanylquinoline?
5-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 5-methylsulfanylquinoline is sourced from PubChem (CID 23188048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).