2-ethyl-6-(phenylsulfanylmethyl)pyridine

C14H15NS — CID 59428606

IUPAC2-ethyl-6-(phenylsulfanylmethyl)pyridine
SMILESCCc1cccc(CSc2ccccc2)n1
InChIInChI=1S/C14H15NS/c1-2-12-7-6-8-13(15-12)11-16-14-9-4-3-5-10-14/h3-10H,2,11H2,1H3
InChIKeyHESDNVWJKQIAHC-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.94
Rot. Bonds4

About 2-ethyl-6-(phenylsulfanylmethyl)pyridine

2-ethyl-6-(phenylsulfanylmethyl)pyridine (PubChem CID 59428606) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-ethyl-6-(phenylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name2-ethyl-6-(phenylsulfanylmethyl)pyridine
PubChem CID59428606
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name2-ethyl-6-(phenylsulfanylmethyl)pyridine
SMILESCCc1cccc(CSc2ccccc2)n1
InChIInChI=1S/C14H15NS/c1-2-12-7-6-8-13(15-12)11-16-14-9-4-3-5-10-14/h3-10H,2,11H2,1H3
InChIKeyHESDNVWJKQIAHC-UHFFFAOYSA-N
XLogP3.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(phenylsulfanylmethyl)pyridine?
The IUPAC name of 2-ethyl-6-(phenylsulfanylmethyl)pyridine (CID 59428606) is 2-ethyl-6-(phenylsulfanylmethyl)pyridine.
What is the SMILES notation for 2-ethyl-6-(phenylsulfanylmethyl)pyridine?
The canonical SMILES for 2-ethyl-6-(phenylsulfanylmethyl)pyridine is CCc1cccc(CSc2ccccc2)n1.
What is the InChIKey of 2-ethyl-6-(phenylsulfanylmethyl)pyridine?
The InChIKey is HESDNVWJKQIAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-2-12-7-6-8-13(15-12)11-16-14-9-4-3-5-10-14/h3-10H,2,11H2,1H3.
What are the key properties of 2-ethyl-6-(phenylsulfanylmethyl)pyridine?
2-ethyl-6-(phenylsulfanylmethyl)pyridine has a molecular weight of 229.35 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(phenylsulfanylmethyl)pyridine is sourced from PubChem (CID 59428606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).