2-sulfanyl-2H-pyridine-3-thione

C5H5NS2 — CID 146171588

IUPAC2-sulfanyl-2H-pyridine-3-thione
SMILESS=C1C=CC=NC1S
InChIInChI=1S/C5H5NS2/c7-4-2-1-3-6-5(4)8/h1-3,5,8H
InChIKeyVGBQHIVVFKJJHY-UHFFFAOYSA-N
MW143.24 g/mol
LogP1.25
Rot. Bonds

About 2-sulfanyl-2H-pyridine-3-thione

2-sulfanyl-2H-pyridine-3-thione (PubChem CID 146171588) has the molecular formula C5H5NS2 and a molecular weight of 143.24 g/mol. Its IUPAC name is 2-sulfanyl-2H-pyridine-3-thione.

Molecular Properties

Compound Name2-sulfanyl-2H-pyridine-3-thione
PubChem CID146171588
Molecular FormulaC5H5NS2
Molecular Weight143.24 g/mol
Exact Mass142.99
IUPAC Name2-sulfanyl-2H-pyridine-3-thione
SMILESS=C1C=CC=NC1S
InChIInChI=1S/C5H5NS2/c7-4-2-1-3-6-5(4)8/h1-3,5,8H
InChIKeyVGBQHIVVFKJJHY-UHFFFAOYSA-N
XLogP1.25
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Pyridine-3(2H)-thione
CID 13507521
Pyridine-2(3H)-thione
CID 14762675
Dithionopyridine
CID 20232710
3a,7a-Dihydrodithiolo[3,4-b]pyridine-3-thione
CID 397764
3-fluoro-3H-pyridine-2-thione
CID 74019610
2-(Propyldisulfanyl)-2,3-dihydropyridine
CID 60024987
2,3-Dihydropyridine-5-thiol
CID 88967075
2-(Methyldisulfanyl)-2,3-dihydropyridine
CID 89248582
2,3-Dihydropyridine-2-thiol
CID 91440046
2,3-Dihydropyridine-3-thiol
CID 144410390
2-(2,3-Dihydropyridin-2-yldisulfanyl)-2,3-dihydropyridine
CID 144974119
4-(Disulfanyl)-2,3-dihydropyridine
CID 163875263

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-2H-pyridine-3-thione?
The IUPAC name of 2-sulfanyl-2H-pyridine-3-thione (CID 146171588) is 2-sulfanyl-2H-pyridine-3-thione.
What is the SMILES notation for 2-sulfanyl-2H-pyridine-3-thione?
The canonical SMILES for 2-sulfanyl-2H-pyridine-3-thione is S=C1C=CC=NC1S.
What is the InChIKey of 2-sulfanyl-2H-pyridine-3-thione?
The InChIKey is VGBQHIVVFKJJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NS2/c7-4-2-1-3-6-5(4)8/h1-3,5,8H.
What are the key properties of 2-sulfanyl-2H-pyridine-3-thione?
2-sulfanyl-2H-pyridine-3-thione has a molecular weight of 143.24 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-2H-pyridine-3-thione is sourced from PubChem (CID 146171588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).