2,3,4,8a-tetrahydro-1H-quinoline-8-thione

C9H11NS — CID 88601528

IUPAC2,3,4,8a-tetrahydro-1H-quinoline-8-thione
SMILESS=C1C=CC=C2CCCNC12
InChIInChI=1S/C9H11NS/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,9-10H,2,4,6H2
InChIKeyRRRUWKUITOONDH-UHFFFAOYSA-N
MW165.26 g/mol
LogP1.60
Rot. Bonds

About 2,3,4,8a-tetrahydro-1H-quinoline-8-thione

2,3,4,8a-tetrahydro-1H-quinoline-8-thione (PubChem CID 88601528) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 2,3,4,8a-tetrahydro-1H-quinoline-8-thione.

Molecular Properties

Compound Name2,3,4,8a-tetrahydro-1H-quinoline-8-thione
PubChem CID88601528
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name2,3,4,8a-tetrahydro-1H-quinoline-8-thione
SMILESS=C1C=CC=C2CCCNC12
InChIInChI=1S/C9H11NS/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,9-10H,2,4,6H2
InChIKeyRRRUWKUITOONDH-UHFFFAOYSA-N
XLogP1.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.60
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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Related Compounds

Hexahydrobenzo[f]quinoline
CID 88521331
2-(4-Fluorocyclohexa-1,2,5-trien-1-yl)piperidine
CID 176447105
1,2,3,4,6,8a-Hexahydroquinoline
CID 22675870
2-methyl-5,8a-dihydro-1H-quinoline-8-thione
CID 23069638
3,4,4a,8a-tetrahydro-1H-quinoline-2-thione
CID 54246818
1,2,3,4,8,8a-Hexahydroquinoline
CID 58772906
1,2,3,4,4a,5,6,6a,7,8-Decahydro-4,7-phenanthroline
CID 67337007
2,3,4,4a,5,6-hexahydro-1H-cyclopenta[f]quinoline
CID 69415911
1,2,3,4,4a,5,6,10-Octahydrobenzo[f]quinoline
CID 70547179
3,4,4a,5-tetrahydro-2H-isoquinoline-1-thione
CID 88468276
2-Cyclohexa-1,5-dien-1-ylpiperidine
CID 89965413
1,2,6,7,8,8a-Hexahydroquinoline
CID 90722808

Frequently Asked Questions

What is the IUPAC name of 2,3,4,8a-tetrahydro-1H-quinoline-8-thione?
The IUPAC name of 2,3,4,8a-tetrahydro-1H-quinoline-8-thione (CID 88601528) is 2,3,4,8a-tetrahydro-1H-quinoline-8-thione.
What is the SMILES notation for 2,3,4,8a-tetrahydro-1H-quinoline-8-thione?
The canonical SMILES for 2,3,4,8a-tetrahydro-1H-quinoline-8-thione is S=C1C=CC=C2CCCNC12.
What is the InChIKey of 2,3,4,8a-tetrahydro-1H-quinoline-8-thione?
The InChIKey is RRRUWKUITOONDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,9-10H,2,4,6H2.
What are the key properties of 2,3,4,8a-tetrahydro-1H-quinoline-8-thione?
2,3,4,8a-tetrahydro-1H-quinoline-8-thione has a molecular weight of 165.26 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,8a-tetrahydro-1H-quinoline-8-thione is sourced from PubChem (CID 88601528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).