8-chloro-5-methyl-6-methylsulfanylquinoline

C11H10ClNS — CID 166755632

IUPAC8-chloro-5-methyl-6-methylsulfanylquinoline
SMILESCSc1cc(Cl)c2ncccc2c1C
InChIInChI=1S/C11H10ClNS/c1-7-8-4-3-5-13-11(8)9(12)6-10(7)14-2/h3-6H,1-2H3
InChIKeyWLMZCWPFXKZMIK-UHFFFAOYSA-N
MW223.73 g/mol
LogP3.92
Rot. Bonds1

About 8-chloro-5-methyl-6-methylsulfanylquinoline

8-chloro-5-methyl-6-methylsulfanylquinoline (PubChem CID 166755632) has the molecular formula C11H10ClNS and a molecular weight of 223.73 g/mol. Its IUPAC name is 8-chloro-5-methyl-6-methylsulfanylquinoline.

Molecular Properties

Compound Name8-chloro-5-methyl-6-methylsulfanylquinoline
PubChem CID166755632
Molecular FormulaC11H10ClNS
Molecular Weight223.73 g/mol
Exact Mass223.02
IUPAC Name8-chloro-5-methyl-6-methylsulfanylquinoline
SMILESCSc1cc(Cl)c2ncccc2c1C
InChIInChI=1S/C11H10ClNS/c1-7-8-4-3-5-13-11(8)9(12)6-10(7)14-2/h3-6H,1-2H3
InChIKeyWLMZCWPFXKZMIK-UHFFFAOYSA-N
XLogP3.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methyl-6-methylsulfanylquinoline?
The IUPAC name of 8-chloro-5-methyl-6-methylsulfanylquinoline (CID 166755632) is 8-chloro-5-methyl-6-methylsulfanylquinoline.
What is the SMILES notation for 8-chloro-5-methyl-6-methylsulfanylquinoline?
The canonical SMILES for 8-chloro-5-methyl-6-methylsulfanylquinoline is CSc1cc(Cl)c2ncccc2c1C.
What is the InChIKey of 8-chloro-5-methyl-6-methylsulfanylquinoline?
The InChIKey is WLMZCWPFXKZMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNS/c1-7-8-4-3-5-13-11(8)9(12)6-10(7)14-2/h3-6H,1-2H3.
What are the key properties of 8-chloro-5-methyl-6-methylsulfanylquinoline?
8-chloro-5-methyl-6-methylsulfanylquinoline has a molecular weight of 223.73 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methyl-6-methylsulfanylquinoline is sourced from PubChem (CID 166755632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).