3,4-dihydro-1H-quinoline-2-thione

C9H9NS — CID 3037435

IUPAC3,4-dihydro-1H-quinoline-2-thione
SMILESS=C1CCc2ccccc2N1
InChIInChI=1S/C9H9NS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,5-6H2,(H,10,11)
InChIKeyUMHLZGJTGWFCGD-UHFFFAOYSA-N
MW163.25 g/mol
LogP2.37
Rot. Bonds

About 3,4-dihydro-1H-quinoline-2-thione

3,4-dihydro-1H-quinoline-2-thione (PubChem CID 3037435) has the molecular formula C9H9NS and a molecular weight of 163.25 g/mol. Its IUPAC name is 3,4-dihydro-1H-quinoline-2-thione.

Molecular Properties

Compound Name3,4-dihydro-1H-quinoline-2-thione
PubChem CID3037435
Molecular FormulaC9H9NS
Molecular Weight163.25 g/mol
Exact Mass163.05
IUPAC Name3,4-dihydro-1H-quinoline-2-thione
SMILESS=C1CCc2ccccc2N1
InChIInChI=1S/C9H9NS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,5-6H2,(H,10,11)
InChIKeyUMHLZGJTGWFCGD-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;5,10,11,12-tetrahydrobenzo[b][1]benzazocine
CID 142101611
3,4-dihydro-1H-quinolin-2-one;ethane
CID 90913605
9,10-dihydroacridine
CID 137366999
6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine
CID 23876509
methane;1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 143703020
9-deuterio-9,10-dihydroacridine
CID 100991515
3,4-dihydro-1H-quinolin-2-one;methanesulfonic acid
CID 21248382
11-N,28-N-dibenzyl-10,12,27,29-tetrazapentacyclo[28.4.0.04,9.013,18.021,26]tetratriaconta-1(34),4,6,8,13,15,17,21,23,25,30,32-dodecaene-11,28-diimine
CID 136732292
ethane;1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 91147283
2,9-diazatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene
CID 102232178
3-hydroxy-3,4-dihydro-1H-quinoline-2-thione
CID 130016382
6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide
CID 91028665

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-quinoline-2-thione?
The IUPAC name of 3,4-dihydro-1H-quinoline-2-thione (CID 3037435) is 3,4-dihydro-1H-quinoline-2-thione.
What is the SMILES notation for 3,4-dihydro-1H-quinoline-2-thione?
The canonical SMILES for 3,4-dihydro-1H-quinoline-2-thione is S=C1CCc2ccccc2N1.
What is the InChIKey of 3,4-dihydro-1H-quinoline-2-thione?
The InChIKey is UMHLZGJTGWFCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,5-6H2,(H,10,11).
What are the key properties of 3,4-dihydro-1H-quinoline-2-thione?
3,4-dihydro-1H-quinoline-2-thione has a molecular weight of 163.25 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-quinoline-2-thione is sourced from PubChem (CID 3037435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).