7,9-bis(pyridin-2-yldisulfanyl)non-1-en-2-ol

C19H24N2OS4 — CID 89140121

IUPAC7,9-bis(pyridin-2-yldisulfanyl)non-1-en-2-ol
SMILESC=C(O)CCCCC(CCSSc1ccccn1)SSc1ccccn1
InChIInChI=1S/C19H24N2OS4/c1-16(22)8-2-3-9-17(24-26-19-11-5-7-14-21-19)12-15-23-25-18-10-4-6-13-20-18/h4-7,10-11,13-14,17,22H,1-3,8-9,12,15H2
InChIKeyPPAMIYZVGTUAAA-UHFFFAOYSA-N
MW424.68 g/mol
LogP7.05
Rot. Bonds13

About 7,9-bis(pyridin-2-yldisulfanyl)non-1-en-2-ol

7,9-bis(pyridin-2-yldisulfanyl)non-1-en-2-ol (PubChem CID 89140121) has the molecular formula C19H24N2OS4 and a molecular weight of 424.68 g/mol. Its IUPAC name is 7,9-bis(pyridin-2-yldisulfanyl)non-1-en-2-ol.

Molecular Properties

Compound Name7,9-bis(pyridin-2-yldisulfanyl)non-1-en-2-ol
PubChem CID89140121
Molecular FormulaC19H24N2OS4
Molecular Weight424.68 g/mol
Exact Mass424.08
IUPAC Name7,9-bis(pyridin-2-yldisulfanyl)non-1-en-2-ol
SMILESC=C(O)CCCCC(CCSSc1ccccn1)SSc1ccccn1
InChIInChI=1S/C19H24N2OS4/c1-16(22)8-2-3-9-17(24-26-19-11-5-7-14-21-19)12-15-23-25-18-10-4-6-13-20-18/h4-7,10-11,13-14,17,22H,1-3,8-9,12,15H2
InChIKeyPPAMIYZVGTUAAA-UHFFFAOYSA-N
XLogP7.05
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.68
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

[1-amino-4-(pyridin-2-yldisulfanyl)butylidene]-methylazanium
CID 59074684
2-(2,5-dihydroxypyrrol-1-yl)-4-(pyridin-2-yldisulfanyl)butanoic acid
CID 90908564
4-(pyridin-2-yldisulfanyl)butan-1-amine;dihydrochloride
CID 88671235
6-benzylsulfanyl-8-[hydroxy(phenyl)methyl]sulfanyloctanoic acid;8-benzylsulfanyl-6-phenylsulfanyloctanoic acid;6,8-bis(pyridin-2-yldisulfanyl)octanoic acid;8-(ethyldisulfanyl)-6-(phenyldisulfanyl)octanoic acid;6-ethylsulfanyl-8-phenylsulfanyloctanoic acid
CID 159171724
2-(but-3-enyldisulfanyl)pyridine
CID 89193061
6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexanoic acid
CID 12795574
(2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol
CID 155484839
(2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol
CID 125489143
4-(2-carboxyethyl)-4-[3-(pyridin-2-yldisulfanyl)propanoylamino]heptanedioic acid
CID 58402443
3-(pyridin-2-yldisulfanyl)-N-[5-[3-(pyridin-2-yldisulfanyl)propanoylamino]pentyl]propanamide
CID 131993683
4,4-dimethyl-1-(pyridin-2-yldisulfanyl)pentan-3-one
CID 87103492
4-(pyridin-2-yltrisulfanyl)butanoic acid
CID 164606651

Frequently Asked Questions

What is the IUPAC name of 7,9-bis(pyridin-2-yldisulfanyl)non-1-en-2-ol?
The IUPAC name of 7,9-bis(pyridin-2-yldisulfanyl)non-1-en-2-ol (CID 89140121) is 7,9-bis(pyridin-2-yldisulfanyl)non-1-en-2-ol.
What is the SMILES notation for 7,9-bis(pyridin-2-yldisulfanyl)non-1-en-2-ol?
The canonical SMILES for 7,9-bis(pyridin-2-yldisulfanyl)non-1-en-2-ol is C=C(O)CCCCC(CCSSc1ccccn1)SSc1ccccn1.
What is the InChIKey of 7,9-bis(pyridin-2-yldisulfanyl)non-1-en-2-ol?
The InChIKey is PPAMIYZVGTUAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS4/c1-16(22)8-2-3-9-17(24-26-19-11-5-7-14-21-19)12-15-23-25-18-10-4-6-13-20-18/h4-7,10-11,13-14,17,22H,1-3,8-9,12,15H2.
What are the key properties of 7,9-bis(pyridin-2-yldisulfanyl)non-1-en-2-ol?
7,9-bis(pyridin-2-yldisulfanyl)non-1-en-2-ol has a molecular weight of 424.68 g/mol, XLogP of 7.05, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-bis(pyridin-2-yldisulfanyl)non-1-en-2-ol is sourced from PubChem (CID 89140121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).