methyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane

C6H7NS4 — CID 167277036

IUPACmethyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane
SMILESCS(=S)SSc1ccccn1
InChIInChI=1S/C6H7NS4/c1-11(8)10-9-6-4-2-3-5-7-6/h2-5H,1H3
InChIKeyVTBNJIOQMUPQQG-UHFFFAOYSA-N
MW221.40 g/mol
LogP2.45
Rot. Bonds3

About methyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane

methyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane (PubChem CID 167277036) has the molecular formula C6H7NS4 and a molecular weight of 221.40 g/mol. Its IUPAC name is methyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Namemethyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane
PubChem CID167277036
Molecular FormulaC6H7NS4
Molecular Weight221.40 g/mol
Exact Mass220.95
IUPAC Namemethyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane
SMILESCS(=S)SSc1ccccn1
InChIInChI=1S/C6H7NS4/c1-11(8)10-9-6-4-2-3-5-7-6/h2-5H,1H3
InChIKeyVTBNJIOQMUPQQG-UHFFFAOYSA-N
XLogP2.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
2-(pyridin-2-ylhexasulfanyl)pyridine
CID 87930543
2-(methyltrisulfanyl)pyridine
CID 123388448
2-(2-methylbutan-2-yldisulfanyl)pyridine
CID 88916521
isocyanatoethane;2-(pyridin-2-yldisulfanyl)pyridine
CID 122690557
2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 20674333
(2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol
CID 155484839
2-hydroxysulfanylpyridine
CID 12046445
2-sulfidosulfanylpyridine
CID 102510943
ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 91356772
pyridin-2-yl methanedithioate
CID 121263494

Frequently Asked Questions

What is the IUPAC name of methyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane?
The IUPAC name of methyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane (CID 167277036) is methyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane.
What is the SMILES notation for methyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane?
The canonical SMILES for methyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane is CS(=S)SSc1ccccn1.
What is the InChIKey of methyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane?
The InChIKey is VTBNJIOQMUPQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS4/c1-11(8)10-9-6-4-2-3-5-7-6/h2-5H,1H3.
What are the key properties of methyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane?
methyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane has a molecular weight of 221.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 167277036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).