1H-pyridine-2-thione

C5H5NS — CID 2723698

IUPAC1H-pyridine-2-thione
SMILESS=c1cccc[nH]1
InChIInChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
InChIKeyWHMDPDGBKYUEMW-UHFFFAOYSA-N
MW111.17 g/mol
LogP1.74
Rot. Bonds

About 1H-pyridine-2-thione

1H-pyridine-2-thione (PubChem CID 2723698) has the molecular formula C5H5NS and a molecular weight of 111.17 g/mol. Its IUPAC name is 1H-pyridine-2-thione.

Molecular Properties

Compound Name1H-pyridine-2-thione
PubChem CID2723698
Molecular FormulaC5H5NS
Molecular Weight111.17 g/mol
Exact Mass111.01
IUPAC Name1H-pyridine-2-thione
SMILESS=c1cccc[nH]1
InChIInChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
InChIKeyWHMDPDGBKYUEMW-UHFFFAOYSA-N
XLogP1.74
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1H-pyridine-2-thione?
The IUPAC name of 1H-pyridine-2-thione (CID 2723698) is 1H-pyridine-2-thione.
What is the SMILES notation for 1H-pyridine-2-thione?
The canonical SMILES for 1H-pyridine-2-thione is S=c1cccc[nH]1.
What is the InChIKey of 1H-pyridine-2-thione?
The InChIKey is WHMDPDGBKYUEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7).
What are the key properties of 1H-pyridine-2-thione?
1H-pyridine-2-thione has a molecular weight of 111.17 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyridine-2-thione is sourced from PubChem (CID 2723698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).