2-(pyridin-2-ylmethylsulfanylmethyl)pyridine

C12H12N2S — CID 12047870

IUPAC2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
SMILESc1ccc(CSCc2ccccn2)nc1
InChIInChI=1S/C12H12N2S/c1-3-7-13-11(5-1)9-15-10-12-6-2-4-8-14-12/h1-8H,9-10H2
InChIKeyHIJGWCFVGFDBOT-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.91
Rot. Bonds4

About 2-(pyridin-2-ylmethylsulfanylmethyl)pyridine

2-(pyridin-2-ylmethylsulfanylmethyl)pyridine (PubChem CID 12047870) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
PubChem CID12047870
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
SMILESc1ccc(CSCc2ccccn2)nc1
InChIInChI=1S/C12H12N2S/c1-3-7-13-11(5-1)9-15-10-12-6-2-4-8-14-12/h1-8H,9-10H2
InChIKeyHIJGWCFVGFDBOT-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine
CID 71346411
2-[(4-chlorophenyl)methylsulfanylmethyl]pyridine
CID 78836425
2-(2-methylsulfanylethylsulfanylmethyl)pyridine
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2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
CID 86021150
3-(pyridin-2-ylmethylsulfanyl)propane-1,2-diol
CID 79682125
2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride
CID 13058753
2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine
CID 75446599
pyridin-2-ylmethyl methanimidothioate
CID 141244966
2-[(2,3,4,5,6-pentafluorophenyl)sulfanylmethyl]pyridine;hydrochloride
CID 12760224
N-(2-hydroxyethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901516
3-(pyridin-2-ylmethylsulfanyl)pyrazin-2-amine
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ethane;pyridin-2-ylmethanamine
CID 90791011

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethylsulfanylmethyl)pyridine?
The IUPAC name of 2-(pyridin-2-ylmethylsulfanylmethyl)pyridine (CID 12047870) is 2-(pyridin-2-ylmethylsulfanylmethyl)pyridine.
What is the SMILES notation for 2-(pyridin-2-ylmethylsulfanylmethyl)pyridine?
The canonical SMILES for 2-(pyridin-2-ylmethylsulfanylmethyl)pyridine is c1ccc(CSCc2ccccn2)nc1.
What is the InChIKey of 2-(pyridin-2-ylmethylsulfanylmethyl)pyridine?
The InChIKey is HIJGWCFVGFDBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-3-7-13-11(5-1)9-15-10-12-6-2-4-8-14-12/h1-8H,9-10H2.
What are the key properties of 2-(pyridin-2-ylmethylsulfanylmethyl)pyridine?
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine has a molecular weight of 216.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethylsulfanylmethyl)pyridine is sourced from PubChem (CID 12047870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).