3-hydroxy-1H-quinoline-2-thione

C9H7NOS — CID 13271055

IUPAC3-hydroxy-1H-quinoline-2-thione
SMILESOc1cc2ccccc2[nH]c1=S
InChIInChI=1S/C9H7NOS/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
InChIKeyRFSGZCYVGCCYFV-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.60
Rot. Bonds

About 3-hydroxy-1H-quinoline-2-thione

3-hydroxy-1H-quinoline-2-thione (PubChem CID 13271055) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 3-hydroxy-1H-quinoline-2-thione.

Molecular Properties

Compound Name3-hydroxy-1H-quinoline-2-thione
PubChem CID13271055
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name3-hydroxy-1H-quinoline-2-thione
SMILESOc1cc2ccccc2[nH]c1=S
InChIInChI=1S/C9H7NOS/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
InChIKeyRFSGZCYVGCCYFV-UHFFFAOYSA-N
XLogP2.60
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-hydroxy-1H-quinoline-2-thione?
The IUPAC name of 3-hydroxy-1H-quinoline-2-thione (CID 13271055) is 3-hydroxy-1H-quinoline-2-thione.
What is the SMILES notation for 3-hydroxy-1H-quinoline-2-thione?
The canonical SMILES for 3-hydroxy-1H-quinoline-2-thione is Oc1cc2ccccc2[nH]c1=S.
What is the InChIKey of 3-hydroxy-1H-quinoline-2-thione?
The InChIKey is RFSGZCYVGCCYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12).
What are the key properties of 3-hydroxy-1H-quinoline-2-thione?
3-hydroxy-1H-quinoline-2-thione has a molecular weight of 177.23 g/mol, XLogP of 2.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1H-quinoline-2-thione is sourced from PubChem (CID 13271055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).