pyridin-2-yl methanedithioate

C6H5NS2 — CID 121263494

IUPACpyridin-2-yl methanedithioate
SMILESS=CSc1ccccn1
InChIInChI=1S/C6H5NS2/c8-5-9-6-3-1-2-4-7-6/h1-5H
InChIKeyUJQFAIMQGXSUMI-UHFFFAOYSA-N
MW155.25 g/mol
LogP2.13
Rot. Bonds2

About pyridin-2-yl methanedithioate

pyridin-2-yl methanedithioate (PubChem CID 121263494) has the molecular formula C6H5NS2 and a molecular weight of 155.25 g/mol. Its IUPAC name is pyridin-2-yl methanedithioate.

Molecular Properties

Compound Namepyridin-2-yl methanedithioate
PubChem CID121263494
Molecular FormulaC6H5NS2
Molecular Weight155.25 g/mol
Exact Mass154.99
IUPAC Namepyridin-2-yl methanedithioate
SMILESS=CSc1ccccn1
InChIInChI=1S/C6H5NS2/c8-5-9-6-3-1-2-4-7-6/h1-5H
InChIKeyUJQFAIMQGXSUMI-UHFFFAOYSA-N
XLogP2.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(disulfanyl)pyridine;mercury
CID 174835661
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
2-hydroxysulfanylpyridine
CID 12046445
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
2-sulfidosulfanylpyridine
CID 102510943
2-(pyridin-2-ylhexasulfanyl)pyridine
CID 87930543
(E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol
CID 88974349
S-pyridin-2-yl pyridine-2-carbothioate
CID 121216656
methyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane
CID 167277036
2-(1-bromocyclobutyl)sulfanylpyridine
CID 174783120
2-(methyltrisulfanyl)pyridine
CID 123388448
2-but-3-enylsulfanylpyridine
CID 15727474

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl methanedithioate?
The IUPAC name of pyridin-2-yl methanedithioate (CID 121263494) is pyridin-2-yl methanedithioate.
What is the SMILES notation for pyridin-2-yl methanedithioate?
The canonical SMILES for pyridin-2-yl methanedithioate is S=CSc1ccccn1.
What is the InChIKey of pyridin-2-yl methanedithioate?
The InChIKey is UJQFAIMQGXSUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NS2/c8-5-9-6-3-1-2-4-7-6/h1-5H.
What are the key properties of pyridin-2-yl methanedithioate?
pyridin-2-yl methanedithioate has a molecular weight of 155.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl methanedithioate is sourced from PubChem (CID 121263494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).