1-(2,4-dimethylphenyl)pyridine-4-thione

C13H13NS — CID 158299415

IUPAC1-(2,4-dimethylphenyl)pyridine-4-thione
SMILESCc1ccc(-n2ccc(=S)cc2)c(C)c1
InChIInChI=1S/C13H13NS/c1-10-3-4-13(11(2)9-10)14-7-5-12(15)6-8-14/h3-9H,1-2H3
InChIKeyGMHWYNQTNNJVKF-UHFFFAOYSA-N
MW215.32 g/mol
LogP3.82
Rot. Bonds1

About 1-(2,4-dimethylphenyl)pyridine-4-thione

1-(2,4-dimethylphenyl)pyridine-4-thione (PubChem CID 158299415) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)pyridine-4-thione.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)pyridine-4-thione
PubChem CID158299415
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name1-(2,4-dimethylphenyl)pyridine-4-thione
SMILESCc1ccc(-n2ccc(=S)cc2)c(C)c1
InChIInChI=1S/C13H13NS/c1-10-3-4-13(11(2)9-10)14-7-5-12(15)6-8-14/h3-9H,1-2H3
InChIKeyGMHWYNQTNNJVKF-UHFFFAOYSA-N
XLogP3.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.82
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

1-(2,4-dimethylphenyl)pyrazole
CID 13066329
1-(2,4-dimethylphenyl)-3-sulfanylidenepyrrolidine-2,5-dione
CID 45118559
2-(2,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-thione
CID 63490091
1-(2-fluoro-4-methylphenyl)pyrrole
CID 19759552
3-(2,4-dimethylphenyl)-5-[3-(2,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4762948
3-(2,4-dimethylphenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one
CID 11402401
3-methyl-4-pyrrol-1-ylaniline;hydrochloride
CID 46735979
1-(2,4-dimethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117088
3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 709008
1,2,4-trimethylbenzene
CID 7247
2-(2,4-dimethylphenyl)-1,2-thiazol-3-one
CID 82077516
1,3-bis(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione
CID 5121465

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)pyridine-4-thione?
The IUPAC name of 1-(2,4-dimethylphenyl)pyridine-4-thione (CID 158299415) is 1-(2,4-dimethylphenyl)pyridine-4-thione.
What is the SMILES notation for 1-(2,4-dimethylphenyl)pyridine-4-thione?
The canonical SMILES for 1-(2,4-dimethylphenyl)pyridine-4-thione is Cc1ccc(-n2ccc(=S)cc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)pyridine-4-thione?
The InChIKey is GMHWYNQTNNJVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c1-10-3-4-13(11(2)9-10)14-7-5-12(15)6-8-14/h3-9H,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)pyridine-4-thione?
1-(2,4-dimethylphenyl)pyridine-4-thione has a molecular weight of 215.32 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)pyridine-4-thione is sourced from PubChem (CID 158299415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).