2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione

C15H17NS — CID 710608

IUPAC2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione
SMILESCc1cc(=S)cc(C)n1CCc1ccccc1
InChIInChI=1S/C15H17NS/c1-12-10-15(17)11-13(2)16(12)9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3
InChIKeyWKGXPNCQBDJXJM-UHFFFAOYSA-N
MW243.38 g/mol
LogP4.08
Rot. Bonds3

About 2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione

2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione (PubChem CID 710608) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione.

Molecular Properties

Compound Name2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione
PubChem CID710608
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione
SMILESCc1cc(=S)cc(C)n1CCc1ccccc1
InChIInChI=1S/C15H17NS/c1-12-10-15(17)11-13(2)16(12)9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3
InChIKeyWKGXPNCQBDJXJM-UHFFFAOYSA-N
XLogP4.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1,5-bis(2-phenylethyl)pyrrole
CID 102088618
5-methyl-4-(2-phenylethyl)thieno[3,2-b]pyrrole
CID 123346912
2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]acetonitrile
CID 12951925
3-benzyl-5-phenyl-4-(2-phenylethyl)-1,2,4-triazole
CID 86058172
2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one
CID 63464793
4-[2-(2-methylindol-1-yl)ethyl]aniline
CID 43519624
6-methyl-3-(2-phenylethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 4507745
1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
CID 65444625
2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one
CID 156776484
5-methyl-1-(2-phenylethyl)pyrazole
CID 10419930
N-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide
CID 10044674
4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine
CID 175917505

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione?
The IUPAC name of 2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione (CID 710608) is 2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione.
What is the SMILES notation for 2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione?
The canonical SMILES for 2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione is Cc1cc(=S)cc(C)n1CCc1ccccc1.
What is the InChIKey of 2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione?
The InChIKey is WKGXPNCQBDJXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-12-10-15(17)11-13(2)16(12)9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione?
2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione has a molecular weight of 243.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione is sourced from PubChem (CID 710608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).