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

C20H24N2O2S2 — CID 101189951

IUPAC2-ethenyl-6-[2-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]pyridine
SMILESC=Cc1cccc(SCCOCCOCCSc2cccc(C=C)n2)n1
InChIInChI=1S/C20H24N2O2S2/c1-3-17-7-5-9-19(21-17)25-15-13-23-11-12-24-14-16-26-20-10-6-8-18(4-2)22-20/h3-10H,1-2,11-16H2
InChIKeySKGDSDSSEGJAPL-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.68
Rot. Bonds13

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

2-ethenyl-6-[2-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]pyridine (PubChem CID 101189951) has the molecular formula C20H24N2O2S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 2-ethenyl-6-[2-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]pyridine.

Molecular Properties

Compound Name2-ethenyl-6-[2-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]pyridine
PubChem CID101189951
Molecular FormulaC20H24N2O2S2
Molecular Weight388.56 g/mol
Exact Mass388.13
IUPAC Name2-ethenyl-6-[2-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]pyridine
SMILESC=Cc1cccc(SCCOCCOCCSc2cccc(C=C)n2)n1
InChIInChI=1S/C20H24N2O2S2/c1-3-17-7-5-9-19(21-17)25-15-13-23-11-12-24-14-16-26-20-10-6-8-18(4-2)22-20/h3-10H,1-2,11-16H2
InChIKeySKGDSDSSEGJAPL-UHFFFAOYSA-N
XLogP4.68
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-Bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine
CID 90999322
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
2-[2-[2-(2-Pyridin-2-ylsulfanylethoxy)ethoxy]ethylsulfanyl]pyridine
CID 338380
2-[2-[2-[2-(Pyridin-2-ylmethylsulfanyl)ethoxy]ethoxy]ethylsulfanylmethyl]pyridine
CID 338381
2,2'-Bis(ethylsulfanyl)-6,6'-bipyridine
CID 14784772
2-Ethylsulfanyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine
CID 15831651
2-Ethylsulfinyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine
CID 101460121
2,2'-Bipyridine, 6,6'-bis(methylthio)-
CID 11586853
3,7,15,19-Tetrathia-25,26-diazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene
CID 21353438
2-[5-[2-[4-(Pyridin-2-yldisulfanyl)pentoxy]ethoxy]pentan-2-ylsulfanylmethyl]pyridine
CID 58260711

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-[2-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]pyridine?
The IUPAC name of 2-ethenyl-6-[2-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]pyridine (CID 101189951) is 2-ethenyl-6-[2-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]pyridine.
What is the SMILES notation for 2-ethenyl-6-[2-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]pyridine?
The canonical SMILES for 2-ethenyl-6-[2-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]pyridine is C=Cc1cccc(SCCOCCOCCSc2cccc(C=C)n2)n1.
What is the InChIKey of 2-ethenyl-6-[2-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]pyridine?
The InChIKey is SKGDSDSSEGJAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S2/c1-3-17-7-5-9-19(21-17)25-15-13-23-11-12-24-14-16-26-20-10-6-8-18(4-2)22-20/h3-10H,1-2,11-16H2.
What are the key properties of 2-ethenyl-6-[2-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]pyridine?
2-ethenyl-6-[2-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]pyridine has a molecular weight of 388.56 g/mol, XLogP of 4.68, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-[2-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]pyridine is sourced from PubChem (CID 101189951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).