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

C9H9NOS — CID 130016382

IUPAC3-hydroxy-3,4-dihydro-1H-quinoline-2-thione
SMILESOC1Cc2ccccc2NC1=S
InChIInChI=1S/C9H9NOS/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-4,8,11H,5H2,(H,10,12)
InChIKeyZINLIOLOJWAXJF-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.34
Rot. Bonds

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

3-hydroxy-3,4-dihydro-1H-quinoline-2-thione (PubChem CID 130016382) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-hydroxy-3,4-dihydro-1H-quinoline-2-thione.

Molecular Properties

Compound Name3-hydroxy-3,4-dihydro-1H-quinoline-2-thione
PubChem CID130016382
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name3-hydroxy-3,4-dihydro-1H-quinoline-2-thione
SMILESOC1Cc2ccccc2NC1=S
InChIInChI=1S/C9H9NOS/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-4,8,11H,5H2,(H,10,12)
InChIKeyZINLIOLOJWAXJF-UHFFFAOYSA-N
XLogP1.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R)-6,11-dihydro-5H-benzo[b][1]benzazepin-5-ol
CID 86312420
(2-sulfanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)carbamic acid
CID 130299102
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
3,4-dihydro-1H-quinoline-2-thione
CID 3037435
9,10-dihydroacridine
CID 137366999
(3R)-3-bromo-3,4-dihydro-1H-quinolin-2-one
CID 86317576
3-amino-3,4-dihydro-1H-quinolin-2-one;hydroiodide
CID 17234022
(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598
(3S)-3-(4-chlorophenyl)-1,3,4,5-tetrahydro-1-benzazepine-2-thione
CID 129405790
4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 12622087
3-benzoyl-3,4-dihydro-1H-quinolin-2-one
CID 154640290
2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165467715

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3,4-dihydro-1H-quinoline-2-thione?
The IUPAC name of 3-hydroxy-3,4-dihydro-1H-quinoline-2-thione (CID 130016382) is 3-hydroxy-3,4-dihydro-1H-quinoline-2-thione.
What is the SMILES notation for 3-hydroxy-3,4-dihydro-1H-quinoline-2-thione?
The canonical SMILES for 3-hydroxy-3,4-dihydro-1H-quinoline-2-thione is OC1Cc2ccccc2NC1=S.
What is the InChIKey of 3-hydroxy-3,4-dihydro-1H-quinoline-2-thione?
The InChIKey is ZINLIOLOJWAXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-4,8,11H,5H2,(H,10,12).
What are the key properties of 3-hydroxy-3,4-dihydro-1H-quinoline-2-thione?
3-hydroxy-3,4-dihydro-1H-quinoline-2-thione has a molecular weight of 179.24 g/mol, XLogP of 1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3,4-dihydro-1H-quinoline-2-thione is sourced from PubChem (CID 130016382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).