2-methyl-5,8a-dihydro-1H-quinoline-8-thione

C10H11NS — CID 23069638

IUPAC2-methyl-5,8a-dihydro-1H-quinoline-8-thione
SMILESCC1=CC=C2CC=CC(=S)C2N1
InChIInChI=1S/C10H11NS/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2,4-6,10-11H,3H2,1H3
InChIKeyQRDVOWPXZHVYIS-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.12
Rot. Bonds

About 2-methyl-5,8a-dihydro-1H-quinoline-8-thione

2-methyl-5,8a-dihydro-1H-quinoline-8-thione (PubChem CID 23069638) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-methyl-5,8a-dihydro-1H-quinoline-8-thione.

Molecular Properties

Compound Name2-methyl-5,8a-dihydro-1H-quinoline-8-thione
PubChem CID23069638
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name2-methyl-5,8a-dihydro-1H-quinoline-8-thione
SMILESCC1=CC=C2CC=CC(=S)C2N1
InChIInChI=1S/C10H11NS/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2,4-6,10-11H,3H2,1H3
InChIKeyQRDVOWPXZHVYIS-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,8a-dihydro-1H-quinoline-8-thione?
The IUPAC name of 2-methyl-5,8a-dihydro-1H-quinoline-8-thione (CID 23069638) is 2-methyl-5,8a-dihydro-1H-quinoline-8-thione.
What is the SMILES notation for 2-methyl-5,8a-dihydro-1H-quinoline-8-thione?
The canonical SMILES for 2-methyl-5,8a-dihydro-1H-quinoline-8-thione is CC1=CC=C2CC=CC(=S)C2N1.
What is the InChIKey of 2-methyl-5,8a-dihydro-1H-quinoline-8-thione?
The InChIKey is QRDVOWPXZHVYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2,4-6,10-11H,3H2,1H3.
What are the key properties of 2-methyl-5,8a-dihydro-1H-quinoline-8-thione?
2-methyl-5,8a-dihydro-1H-quinoline-8-thione has a molecular weight of 177.27 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,8a-dihydro-1H-quinoline-8-thione is sourced from PubChem (CID 23069638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).