2-ethenyl-6-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethylsulfanyl]pyridine

C18H20N2OS2 — CID 101166912

IUPAC2-ethenyl-6-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethylsulfanyl]pyridine
SMILESC=Cc1cccc(SCCOCCSc2cccc(C=C)n2)n1
InChIInChI=1S/C18H20N2OS2/c1-3-15-7-5-9-17(19-15)22-13-11-21-12-14-23-18-10-6-8-16(4-2)20-18/h3-10H,1-2,11-14H2
InChIKeyCQAJSENJLORZOF-UHFFFAOYSA-N
MW344.51 g/mol
LogP4.66
Rot. Bonds10

About 2-ethenyl-6-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethylsulfanyl]pyridine

2-ethenyl-6-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethylsulfanyl]pyridine (PubChem CID 101166912) has the molecular formula C18H20N2OS2 and a molecular weight of 344.51 g/mol. Its IUPAC name is 2-ethenyl-6-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethylsulfanyl]pyridine.

Molecular Properties

Compound Name2-ethenyl-6-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethylsulfanyl]pyridine
PubChem CID101166912
Molecular FormulaC18H20N2OS2
Molecular Weight344.51 g/mol
Exact Mass344.10
IUPAC Name2-ethenyl-6-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethylsulfanyl]pyridine
SMILESC=Cc1cccc(SCCOCCSc2cccc(C=C)n2)n1
InChIInChI=1S/C18H20N2OS2/c1-3-15-7-5-9-17(19-15)22-13-11-21-12-14-23-18-10-6-8-16(4-2)20-18/h3-10H,1-2,11-14H2
InChIKeyCQAJSENJLORZOF-UHFFFAOYSA-N
XLogP4.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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2,6-Bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine
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10-Oxa-7,13-dithia-18,19-diazatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene
CID 101460138
Bis(2-(pyridin-2-ylthio)ethyl)ether
CID 101962282
Carbon monoxide;ethanone;bis(iron(2+));bis(6-methylpyridine-2-thiolate)
CID 139261145
3-[(2,6-Dimethyl-3-pyridinyl)sulfanyl]-2,6-dimethylpyridine
CID 176437528
2-Fluoro-6-(2-methoxyethylsulfanyl)pyridine
CID 61229188
2-[[6-(Trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol
CID 61779540
2-Fluoro-6-(oxan-4-ylsulfanyl)pyridine
CID 62995902
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CID 63856298

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethylsulfanyl]pyridine?
The IUPAC name of 2-ethenyl-6-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethylsulfanyl]pyridine (CID 101166912) is 2-ethenyl-6-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethylsulfanyl]pyridine.
What is the SMILES notation for 2-ethenyl-6-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethylsulfanyl]pyridine?
The canonical SMILES for 2-ethenyl-6-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethylsulfanyl]pyridine is C=Cc1cccc(SCCOCCSc2cccc(C=C)n2)n1.
What is the InChIKey of 2-ethenyl-6-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethylsulfanyl]pyridine?
The InChIKey is CQAJSENJLORZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS2/c1-3-15-7-5-9-17(19-15)22-13-11-21-12-14-23-18-10-6-8-16(4-2)20-18/h3-10H,1-2,11-14H2.
What are the key properties of 2-ethenyl-6-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethylsulfanyl]pyridine?
2-ethenyl-6-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethylsulfanyl]pyridine has a molecular weight of 344.51 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethylsulfanyl]pyridine is sourced from PubChem (CID 101166912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).