3-(benzylsulfanylmethyl)pyridine

C13H13NS — CID 3025143

IUPAC3-(benzylsulfanylmethyl)pyridine
SMILESc1ccc(CSCc2cccnc2)cc1
InChIInChI=1S/C13H13NS/c1-2-5-12(6-3-1)10-15-11-13-7-4-8-14-9-13/h1-9H,10-11H2
InChIKeyGOSLSLYNKCYNDL-UHFFFAOYSA-N
MW215.32 g/mol
LogP3.52
Rot. Bonds4

About 3-(benzylsulfanylmethyl)pyridine

3-(benzylsulfanylmethyl)pyridine (PubChem CID 3025143) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-(benzylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name3-(benzylsulfanylmethyl)pyridine
PubChem CID3025143
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name3-(benzylsulfanylmethyl)pyridine
SMILESc1ccc(CSCc2cccnc2)cc1
InChIInChI=1S/C13H13NS/c1-2-5-12(6-3-1)10-15-11-13-7-4-8-14-9-13/h1-9H,10-11H2
InChIKeyGOSLSLYNKCYNDL-UHFFFAOYSA-N
XLogP3.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylsulfanylmethyl)pyridine
CID 3025109
3-(phenylsulfanylmethyl)pyridine;hydrochloride
CID 71374325
6-(pyridin-3-ylmethylsulfanylmethyl)isoquinoline
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2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine
CID 66230417
3-(but-2-ynylsulfanylmethyl)pyridine
CID 130709571
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
benzylsulfanylmethylbenzene;1,1'-biphenyl
CID 66703910
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-(ethynylsulfanylmethyl)pyridine
CID 69152778
ethane;ethylbenzene;3-ethylpyridine
CID 145171299
3-[(E)-3-phenylprop-2-enyl]pyridine
CID 13437688
3-[[2-[4,5-bis(pyridin-3-ylmethylsulfanyl)-1,3-dithiol-2-ylidene]-5-(pyridin-3-ylmethylsulfanyl)-1,3-dithiol-4-yl]sulfanylmethyl]pyridine
CID 101228131

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfanylmethyl)pyridine?
The IUPAC name of 3-(benzylsulfanylmethyl)pyridine (CID 3025143) is 3-(benzylsulfanylmethyl)pyridine.
What is the SMILES notation for 3-(benzylsulfanylmethyl)pyridine?
The canonical SMILES for 3-(benzylsulfanylmethyl)pyridine is c1ccc(CSCc2cccnc2)cc1.
What is the InChIKey of 3-(benzylsulfanylmethyl)pyridine?
The InChIKey is GOSLSLYNKCYNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c1-2-5-12(6-3-1)10-15-11-13-7-4-8-14-9-13/h1-9H,10-11H2.
What are the key properties of 3-(benzylsulfanylmethyl)pyridine?
3-(benzylsulfanylmethyl)pyridine has a molecular weight of 215.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfanylmethyl)pyridine is sourced from PubChem (CID 3025143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).