2-(but-3-enyldisulfanyl)pyridine

C9H11NS2 — CID 89193061

IUPAC2-(but-3-enyldisulfanyl)pyridine
SMILESC=CCCSSc1ccccn1
InChIInChI=1S/C9H11NS2/c1-2-3-8-11-12-9-6-4-5-7-10-9/h2,4-7H,1,3,8H2
InChIKeyKNKPVWGGQVNFKJ-UHFFFAOYSA-N
MW197.33 g/mol
LogP3.40
Rot. Bonds5

About 2-(but-3-enyldisulfanyl)pyridine

2-(but-3-enyldisulfanyl)pyridine (PubChem CID 89193061) has the molecular formula C9H11NS2 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-(but-3-enyldisulfanyl)pyridine.

Molecular Properties

Compound Name2-(but-3-enyldisulfanyl)pyridine
PubChem CID89193061
Molecular FormulaC9H11NS2
Molecular Weight197.33 g/mol
Exact Mass197.03
IUPAC Name2-(but-3-enyldisulfanyl)pyridine
SMILESC=CCCSSc1ccccn1
InChIInChI=1S/C9H11NS2/c1-2-3-8-11-12-9-6-4-5-7-10-9/h2,4-7H,1,3,8H2
InChIKeyKNKPVWGGQVNFKJ-UHFFFAOYSA-N
XLogP3.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enylsulfanylpyridine
CID 15727474
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine
CID 89137900
2-(pyridin-2-yldisulfanyl)ethanol;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethanol;iodide
CID 161040168
4-(pyridin-2-yldisulfanyl)butan-1-amine;dihydrochloride
CID 88671235
methane;methanol;2-(pyridin-2-yldisulfanyl)ethylazanium;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethylazanium;dichloride
CID 158342134
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
heptane-1-thiol;2-(pentyldisulfanyl)pyridine;2-(pyridin-2-yldisulfanyl)pyridine
CID 161313106
4,4-dimethyl-1-(pyridin-2-yldisulfanyl)pentan-3-one
CID 87103492
(2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol
CID 155484839
(2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol
CID 125489143
2-(pyridin-2-ylhexasulfanyl)pyridine
CID 87930543

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-enyldisulfanyl)pyridine?
The IUPAC name of 2-(but-3-enyldisulfanyl)pyridine (CID 89193061) is 2-(but-3-enyldisulfanyl)pyridine.
What is the SMILES notation for 2-(but-3-enyldisulfanyl)pyridine?
The canonical SMILES for 2-(but-3-enyldisulfanyl)pyridine is C=CCCSSc1ccccn1.
What is the InChIKey of 2-(but-3-enyldisulfanyl)pyridine?
The InChIKey is KNKPVWGGQVNFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS2/c1-2-3-8-11-12-9-6-4-5-7-10-9/h2,4-7H,1,3,8H2.
What are the key properties of 2-(but-3-enyldisulfanyl)pyridine?
2-(but-3-enyldisulfanyl)pyridine has a molecular weight of 197.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-enyldisulfanyl)pyridine is sourced from PubChem (CID 89193061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).