6-methoxy-2-methyl-1H-quinoline-4-thione

C11H11NOS — CID 762811

IUPAC6-methoxy-2-methyl-1H-quinoline-4-thione
SMILESCOc1ccc2[nH]c(C)cc(=S)c2c1
InChIInChI=1S/C11H11NOS/c1-7-5-11(14)9-6-8(13-2)3-4-10(9)12-7/h3-6H,1-2H3,(H,12,14)
InChIKeySKSLXGCSDLWDEO-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.21
Rot. Bonds1

About 6-methoxy-2-methyl-1H-quinoline-4-thione

6-methoxy-2-methyl-1H-quinoline-4-thione (PubChem CID 762811) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 6-methoxy-2-methyl-1H-quinoline-4-thione.

Molecular Properties

Compound Name6-methoxy-2-methyl-1H-quinoline-4-thione
PubChem CID762811
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name6-methoxy-2-methyl-1H-quinoline-4-thione
SMILESCOc1ccc2[nH]c(C)cc(=S)c2c1
InChIInChI=1S/C11H11NOS/c1-7-5-11(14)9-6-8(13-2)3-4-10(9)12-7/h3-6H,1-2H3,(H,12,14)
InChIKeySKSLXGCSDLWDEO-UHFFFAOYSA-N
XLogP3.21
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-1H-quinoline-4-thione?
The IUPAC name of 6-methoxy-2-methyl-1H-quinoline-4-thione (CID 762811) is 6-methoxy-2-methyl-1H-quinoline-4-thione.
What is the SMILES notation for 6-methoxy-2-methyl-1H-quinoline-4-thione?
The canonical SMILES for 6-methoxy-2-methyl-1H-quinoline-4-thione is COc1ccc2[nH]c(C)cc(=S)c2c1.
What is the InChIKey of 6-methoxy-2-methyl-1H-quinoline-4-thione?
The InChIKey is SKSLXGCSDLWDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-7-5-11(14)9-6-8(13-2)3-4-10(9)12-7/h3-6H,1-2H3,(H,12,14).
What are the key properties of 6-methoxy-2-methyl-1H-quinoline-4-thione?
6-methoxy-2-methyl-1H-quinoline-4-thione has a molecular weight of 205.28 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-1H-quinoline-4-thione is sourced from PubChem (CID 762811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).