3-hydroxy-3H-pyridine-2-thione

C5H5NOS — CID 55265380

IUPAC3-hydroxy-3H-pyridine-2-thione
SMILESOC1C=CC=NC1=S
InChIInChI=1S/C5H5NOS/c7-4-2-1-3-6-5(4)8/h1-4,7H
InChIKeyOUZIIQKCNAKTHZ-UHFFFAOYSA-N
MW127.17 g/mol
LogP0.32
Rot. Bonds

About 3-hydroxy-3H-pyridine-2-thione

3-hydroxy-3H-pyridine-2-thione (PubChem CID 55265380) has the molecular formula C5H5NOS and a molecular weight of 127.17 g/mol. Its IUPAC name is 3-hydroxy-3H-pyridine-2-thione.

Molecular Properties

Compound Name3-hydroxy-3H-pyridine-2-thione
PubChem CID55265380
Molecular FormulaC5H5NOS
Molecular Weight127.17 g/mol
Exact Mass127.01
IUPAC Name3-hydroxy-3H-pyridine-2-thione
SMILESOC1C=CC=NC1=S
InChIInChI=1S/C5H5NOS/c7-4-2-1-3-6-5(4)8/h1-4,7H
InChIKeyOUZIIQKCNAKTHZ-UHFFFAOYSA-N
XLogP0.32
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
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-3H-pyridine-2-thione?
The IUPAC name of 3-hydroxy-3H-pyridine-2-thione (CID 55265380) is 3-hydroxy-3H-pyridine-2-thione.
What is the SMILES notation for 3-hydroxy-3H-pyridine-2-thione?
The canonical SMILES for 3-hydroxy-3H-pyridine-2-thione is OC1C=CC=NC1=S.
What is the InChIKey of 3-hydroxy-3H-pyridine-2-thione?
The InChIKey is OUZIIQKCNAKTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NOS/c7-4-2-1-3-6-5(4)8/h1-4,7H.
What are the key properties of 3-hydroxy-3H-pyridine-2-thione?
3-hydroxy-3H-pyridine-2-thione has a molecular weight of 127.17 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3H-pyridine-2-thione is sourced from PubChem (CID 55265380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).