pyridine-3-thiol

C5H5NS — CID 27691

IUPACpyridine-3-thiol
SMILESSc1cccnc1
InChIInChI=1S/C5H5NS/c7-5-2-1-3-6-4-5/h1-4,7H
InChIKeyFFWJHVGUAKWTKW-UHFFFAOYSA-N
MW111.17 g/mol
LogP1.37
Rot. Bonds

About pyridine-3-thiol

pyridine-3-thiol (PubChem CID 27691) has the molecular formula C5H5NS and a molecular weight of 111.17 g/mol. Its IUPAC name is pyridine-3-thiol.

Molecular Properties

Compound Namepyridine-3-thiol
PubChem CID27691
Molecular FormulaC5H5NS
Molecular Weight111.17 g/mol
Exact Mass111.01
IUPAC Namepyridine-3-thiol
SMILESSc1cccnc1
InChIInChI=1S/C5H5NS/c7-5-2-1-3-6-4-5/h1-4,7H
InChIKeyFFWJHVGUAKWTKW-UHFFFAOYSA-N
XLogP1.37
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyridine-3-thiol?
The IUPAC name of pyridine-3-thiol (CID 27691) is pyridine-3-thiol.
What is the SMILES notation for pyridine-3-thiol?
The canonical SMILES for pyridine-3-thiol is Sc1cccnc1.
What is the InChIKey of pyridine-3-thiol?
The InChIKey is FFWJHVGUAKWTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NS/c7-5-2-1-3-6-4-5/h1-4,7H.
What are the key properties of pyridine-3-thiol?
pyridine-3-thiol has a molecular weight of 111.17 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3-thiol is sourced from PubChem (CID 27691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).