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

C11H11NOS — CID 935963

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

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

6-methoxy-4-methyl-1H-quinoline-2-thione (PubChem CID 935963) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 6-methoxy-4-methyl-1H-quinoline-2-thione.

Molecular Properties

Compound Name6-methoxy-4-methyl-1H-quinoline-2-thione
PubChem CID935963
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name6-methoxy-4-methyl-1H-quinoline-2-thione
SMILESCOc1ccc2[nH]c(=S)cc(C)c2c1
InChIInChI=1S/C11H11NOS/c1-7-5-11(14)12-10-4-3-8(13-2)6-9(7)10/h3-6H,1-2H3,(H,12,14)
InChIKeyVHEWCRNTYVTZPW-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-4-methyl-1H-quinoline-2-thione?
The IUPAC name of 6-methoxy-4-methyl-1H-quinoline-2-thione (CID 935963) is 6-methoxy-4-methyl-1H-quinoline-2-thione.
What is the SMILES notation for 6-methoxy-4-methyl-1H-quinoline-2-thione?
The canonical SMILES for 6-methoxy-4-methyl-1H-quinoline-2-thione is COc1ccc2[nH]c(=S)cc(C)c2c1.
What is the InChIKey of 6-methoxy-4-methyl-1H-quinoline-2-thione?
The InChIKey is VHEWCRNTYVTZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-7-5-11(14)12-10-4-3-8(13-2)6-9(7)10/h3-6H,1-2H3,(H,12,14).
What are the key properties of 6-methoxy-4-methyl-1H-quinoline-2-thione?
6-methoxy-4-methyl-1H-quinoline-2-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-4-methyl-1H-quinoline-2-thione is sourced from PubChem (CID 935963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).