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

C10H9NS — CID 940263

IUPAC2-methyl-1H-quinoline-4-thione
SMILESCc1cc(=S)c2ccccc2[nH]1
InChIInChI=1S/C10H9NS/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)
InChIKeyFQKLIBNGRKRDCL-UHFFFAOYSA-N
MW175.26 g/mol
LogP3.21
Rot. Bonds

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

2-methyl-1H-quinoline-4-thione (PubChem CID 940263) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 2-methyl-1H-quinoline-4-thione.

Molecular Properties

Compound Name2-methyl-1H-quinoline-4-thione
PubChem CID940263
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name2-methyl-1H-quinoline-4-thione
SMILESCc1cc(=S)c2ccccc2[nH]1
InChIInChI=1S/C10H9NS/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)
InChIKeyFQKLIBNGRKRDCL-UHFFFAOYSA-N
XLogP3.21
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-methyl-1H-quinoline-4-thione?
The IUPAC name of 2-methyl-1H-quinoline-4-thione (CID 940263) is 2-methyl-1H-quinoline-4-thione.
What is the SMILES notation for 2-methyl-1H-quinoline-4-thione?
The canonical SMILES for 2-methyl-1H-quinoline-4-thione is Cc1cc(=S)c2ccccc2[nH]1.
What is the InChIKey of 2-methyl-1H-quinoline-4-thione?
The InChIKey is FQKLIBNGRKRDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12).
What are the key properties of 2-methyl-1H-quinoline-4-thione?
2-methyl-1H-quinoline-4-thione has a molecular weight of 175.26 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-quinoline-4-thione is sourced from PubChem (CID 940263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).