2-(4-ethyl-3-methylphenyl)sulfanylpyridine

C14H15NS — CID 71179430

IUPAC2-(4-ethyl-3-methylphenyl)sulfanylpyridine
SMILESCCc1ccc(Sc2ccccn2)cc1C
InChIInChI=1S/C14H15NS/c1-3-12-7-8-13(10-11(12)2)16-14-6-4-5-9-15-14/h4-10H,3H2,1-2H3
InChIKeyLSIGYEAAIHCHNB-UHFFFAOYSA-N
MW229.35 g/mol
LogP4.10
Rot. Bonds3

About 2-(4-ethyl-3-methylphenyl)sulfanylpyridine

2-(4-ethyl-3-methylphenyl)sulfanylpyridine (PubChem CID 71179430) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylphenyl)sulfanylpyridine.

Molecular Properties

Compound Name2-(4-ethyl-3-methylphenyl)sulfanylpyridine
PubChem CID71179430
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name2-(4-ethyl-3-methylphenyl)sulfanylpyridine
SMILESCCc1ccc(Sc2ccccn2)cc1C
InChIInChI=1S/C14H15NS/c1-3-12-7-8-13(10-11(12)2)16-14-6-4-5-9-15-14/h4-10H,3H2,1-2H3
InChIKeyLSIGYEAAIHCHNB-UHFFFAOYSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylphenyl)sulfanylpyridine?
The IUPAC name of 2-(4-ethyl-3-methylphenyl)sulfanylpyridine (CID 71179430) is 2-(4-ethyl-3-methylphenyl)sulfanylpyridine.
What is the SMILES notation for 2-(4-ethyl-3-methylphenyl)sulfanylpyridine?
The canonical SMILES for 2-(4-ethyl-3-methylphenyl)sulfanylpyridine is CCc1ccc(Sc2ccccn2)cc1C.
What is the InChIKey of 2-(4-ethyl-3-methylphenyl)sulfanylpyridine?
The InChIKey is LSIGYEAAIHCHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-3-12-7-8-13(10-11(12)2)16-14-6-4-5-9-15-14/h4-10H,3H2,1-2H3.
What are the key properties of 2-(4-ethyl-3-methylphenyl)sulfanylpyridine?
2-(4-ethyl-3-methylphenyl)sulfanylpyridine has a molecular weight of 229.35 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylphenyl)sulfanylpyridine is sourced from PubChem (CID 71179430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).