2-(methyltrisulfanyl)pyridine

C6H7NS3 — CID 123388448

IUPAC2-(methyltrisulfanyl)pyridine
SMILESCSSSc1ccccn1
InChIInChI=1S/C6H7NS3/c1-8-10-9-6-4-2-3-5-7-6/h2-5H,1H3
InChIKeyCRRAUHQCLBJWHO-UHFFFAOYSA-N
MW189.33 g/mol
LogP3.10
Rot. Bonds3

About 2-(methyltrisulfanyl)pyridine

2-(methyltrisulfanyl)pyridine (PubChem CID 123388448) has the molecular formula C6H7NS3 and a molecular weight of 189.33 g/mol. Its IUPAC name is 2-(methyltrisulfanyl)pyridine.

Molecular Properties

Compound Name2-(methyltrisulfanyl)pyridine
PubChem CID123388448
Molecular FormulaC6H7NS3
Molecular Weight189.33 g/mol
Exact Mass188.97
IUPAC Name2-(methyltrisulfanyl)pyridine
SMILESCSSSc1ccccn1
InChIInChI=1S/C6H7NS3/c1-8-10-9-6-4-2-3-5-7-6/h2-5H,1H3
InChIKeyCRRAUHQCLBJWHO-UHFFFAOYSA-N
XLogP3.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.33
LogP ≤ 53.10
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-ylhexasulfanyl)pyridine
CID 87930543
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
methyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane
CID 167277036
(2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol
CID 155484839
2-(2-methylbutan-2-yldisulfanyl)pyridine
CID 88916521
2-hydroxysulfanylpyridine
CID 12046445
2-sulfidosulfanylpyridine
CID 102510943
bis(dihydroxy(oxo)phosphanium);2-methylsulfanylpyridine
CID 19865315
2,4-dimethyl-6-(pyridin-2-yldisulfanyl)pyridine
CID 57270391
1-(pyridin-2-yldisulfanyl)propan-2-one
CID 88565959
N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine
CID 89137900

Frequently Asked Questions

What is the IUPAC name of 2-(methyltrisulfanyl)pyridine?
The IUPAC name of 2-(methyltrisulfanyl)pyridine (CID 123388448) is 2-(methyltrisulfanyl)pyridine.
What is the SMILES notation for 2-(methyltrisulfanyl)pyridine?
The canonical SMILES for 2-(methyltrisulfanyl)pyridine is CSSSc1ccccn1.
What is the InChIKey of 2-(methyltrisulfanyl)pyridine?
The InChIKey is CRRAUHQCLBJWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS3/c1-8-10-9-6-4-2-3-5-7-6/h2-5H,1H3.
What are the key properties of 2-(methyltrisulfanyl)pyridine?
2-(methyltrisulfanyl)pyridine has a molecular weight of 189.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methyltrisulfanyl)pyridine is sourced from PubChem (CID 123388448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).