2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine

C18H16N2S2 — CID 86021150

IUPAC2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
SMILESc1ccc(CSc2ccc(SCc3ccccn3)cc2)nc1
InChIInChI=1S/C18H16N2S2/c1-3-11-19-15(5-1)13-21-17-7-9-18(10-8-17)22-14-16-6-2-4-12-20-16/h1-12H,13-14H2
InChIKeyWPQDNOFRXUQYOH-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.06
Rot. Bonds6

About 2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine

2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine (PubChem CID 86021150) has the molecular formula C18H16N2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
PubChem CID86021150
Molecular FormulaC18H16N2S2
Molecular Weight324.47 g/mol
Exact Mass324.08
IUPAC Name2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
SMILESc1ccc(CSc2ccc(SCc3ccccn3)cc2)nc1
InChIInChI=1S/C18H16N2S2/c1-3-11-19-15(5-1)13-21-17-7-9-18(10-8-17)22-14-16-6-2-4-12-20-16/h1-12H,13-14H2
InChIKeyWPQDNOFRXUQYOH-UHFFFAOYSA-N
XLogP5.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride
CID 13058753
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 19850830
2-(pyridin-2-ylmethylsulfanyl)quinoline
CID 19850809
3-[4-(pyridin-2-ylmethylsulfanyl)anilino]benzonitrile
CID 142234394
2-[(2,3,4,5,6-pentafluorophenyl)sulfanylmethyl]pyridine;hydrochloride
CID 12760224
2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine
CID 71346411
3-(pyridin-2-ylmethylsulfanyl)pyrazin-2-amine
CID 106679150
6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-amine
CID 15032613
1-methyl-2-(pyridin-2-ylmethylsulfanyl)pyridin-1-ium chloride
CID 13434869
pyridin-2-ylmethyl methanimidothioate
CID 141244966
2-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 4069691

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine?
The IUPAC name of 2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine (CID 86021150) is 2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine.
What is the SMILES notation for 2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine?
The canonical SMILES for 2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine is c1ccc(CSc2ccc(SCc3ccccn3)cc2)nc1.
What is the InChIKey of 2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine?
The InChIKey is WPQDNOFRXUQYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S2/c1-3-11-19-15(5-1)13-21-17-7-9-18(10-8-17)22-14-16-6-2-4-12-20-16/h1-12H,13-14H2.
What are the key properties of 2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine?
2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine has a molecular weight of 324.47 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine is sourced from PubChem (CID 86021150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).