2-(pyridin-2-yldisulfanyl)ethanol;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethanol;iodide

C19H23IN3O2S5- — CID 161040168

IUPAC2-(pyridin-2-yldisulfanyl)ethanol;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethanol;iodide
SMILESOCCS.OCCSSc1ccccn1.[I-].c1ccc(SSc2ccccn2)nc1
InChIInChI=1S/C10H8N2S2.C7H9NOS2.C2H6OS.HI/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10;9-5-6-10-11-7-3-1-2-4-8-7;3-1-2-4;/h1-8H;1-4,9H,5-6H2;3-4H,1-2H2;1H/p-1
InChIKeyISJWKZSMFFVSFF-UHFFFAOYSA-M
MW612.65 g/mol
LogP2.00
Rot. Bonds8

About 2-(pyridin-2-yldisulfanyl)ethanol;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethanol;iodide

2-(pyridin-2-yldisulfanyl)ethanol;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethanol;iodide (PubChem CID 161040168) has the molecular formula C19H23IN3O2S5- and a molecular weight of 612.65 g/mol. Its IUPAC name is 2-(pyridin-2-yldisulfanyl)ethanol;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethanol;iodide.

Molecular Properties

Compound Name2-(pyridin-2-yldisulfanyl)ethanol;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethanol;iodide
PubChem CID161040168
Molecular FormulaC19H23IN3O2S5-
Molecular Weight612.65 g/mol
Exact Mass611.94
IUPAC Name2-(pyridin-2-yldisulfanyl)ethanol;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethanol;iodide
SMILESOCCS.OCCSSc1ccccn1.[I-].c1ccc(SSc2ccccn2)nc1
InChIInChI=1S/C10H8N2S2.C7H9NOS2.C2H6OS.HI/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10;9-5-6-10-11-7-3-1-2-4-8-7;3-1-2-4;/h1-8H;1-4,9H,5-6H2;3-4H,1-2H2;1H/p-1
InChIKeyISJWKZSMFFVSFF-UHFFFAOYSA-M
XLogP2.00
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.65
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methane;methanol;2-(pyridin-2-yldisulfanyl)ethylazanium;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethylazanium;dichloride
CID 158342134
heptane-1-thiol;2-(pentyldisulfanyl)pyridine;2-(pyridin-2-yldisulfanyl)pyridine
CID 161313106
bis[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;6-(pyridin-2-yldisulfanyl)hexan-1-ol;6-sulfanylhexan-1-ol
CID 158051557
2-(but-3-enyldisulfanyl)pyridine
CID 89193061
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
(2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol
CID 125489143
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine
CID 89137900
4-(pyridin-2-yldisulfanyl)butan-1-amine;dihydrochloride
CID 88671235
(2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol
CID 155484839
4,4-dimethyl-1-(pyridin-2-yldisulfanyl)pentan-3-one
CID 87103492
N-(7-hydroxyheptyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 59027440

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-yldisulfanyl)ethanol;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethanol;iodide?
The IUPAC name of 2-(pyridin-2-yldisulfanyl)ethanol;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethanol;iodide (CID 161040168) is 2-(pyridin-2-yldisulfanyl)ethanol;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethanol;iodide.
What is the SMILES notation for 2-(pyridin-2-yldisulfanyl)ethanol;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethanol;iodide?
The canonical SMILES for 2-(pyridin-2-yldisulfanyl)ethanol;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethanol;iodide is OCCS.OCCSSc1ccccn1.[I-].c1ccc(SSc2ccccn2)nc1.
What is the InChIKey of 2-(pyridin-2-yldisulfanyl)ethanol;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethanol;iodide?
The InChIKey is ISJWKZSMFFVSFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8N2S2.C7H9NOS2.C2H6OS.HI/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10;9-5-6-10-11-7-3-1-2-4-8-7;3-1-2-4;/h1-8H;1-4,9H,5-6H2;3-4H,1-2H2;1H/p-1.
What are the key properties of 2-(pyridin-2-yldisulfanyl)ethanol;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethanol;iodide?
2-(pyridin-2-yldisulfanyl)ethanol;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethanol;iodide has a molecular weight of 612.65 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-yldisulfanyl)ethanol;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethanol;iodide is sourced from PubChem (CID 161040168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).