pyridine-2,5-dithione

C5H3NS2 — CID 57077106

IUPACpyridine-2,5-dithione
SMILESS=C1C=CC(=S)N=C1
InChIInChI=1S/C5H3NS2/c7-4-1-2-5(8)6-3-4/h1-3H
InChIKeyYRLWVVOGIUXFJP-UHFFFAOYSA-N
MW141.22 g/mol
LogP1.32
Rot. Bonds

About pyridine-2,5-dithione

pyridine-2,5-dithione (PubChem CID 57077106) has the molecular formula C5H3NS2 and a molecular weight of 141.22 g/mol. Its IUPAC name is pyridine-2,5-dithione.

Molecular Properties

Compound Namepyridine-2,5-dithione
PubChem CID57077106
Molecular FormulaC5H3NS2
Molecular Weight141.22 g/mol
Exact Mass140.97
IUPAC Namepyridine-2,5-dithione
SMILESS=C1C=CC(=S)N=C1
InChIInChI=1S/C5H3NS2/c7-4-1-2-5(8)6-3-4/h1-3H
InChIKeyYRLWVVOGIUXFJP-UHFFFAOYSA-N
XLogP1.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze pyridine-2,5-dithione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyridine-2,5-dithione?
The IUPAC name of pyridine-2,5-dithione (CID 57077106) is pyridine-2,5-dithione.
What is the SMILES notation for pyridine-2,5-dithione?
The canonical SMILES for pyridine-2,5-dithione is S=C1C=CC(=S)N=C1.
What is the InChIKey of pyridine-2,5-dithione?
The InChIKey is YRLWVVOGIUXFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NS2/c7-4-1-2-5(8)6-3-4/h1-3H.
What are the key properties of pyridine-2,5-dithione?
pyridine-2,5-dithione has a molecular weight of 141.22 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2,5-dithione is sourced from PubChem (CID 57077106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).