2-[2,4-bis(methylsulfanyl)phenyl]pyridine

C13H13NS2 — CID 134966043

IUPAC2-[2,4-bis(methylsulfanyl)phenyl]pyridine
SMILESCSc1ccc(-c2ccccn2)c(SC)c1
InChIInChI=1S/C13H13NS2/c1-15-10-6-7-11(13(9-10)16-2)12-5-3-4-8-14-12/h3-9H,1-2H3
InChIKeyLORJSDNKNSLECX-UHFFFAOYSA-N
MW247.39 g/mol
LogP4.19
Rot. Bonds3

About 2-[2,4-bis(methylsulfanyl)phenyl]pyridine

2-[2,4-bis(methylsulfanyl)phenyl]pyridine (PubChem CID 134966043) has the molecular formula C13H13NS2 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[2,4-bis(methylsulfanyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[2,4-bis(methylsulfanyl)phenyl]pyridine
PubChem CID134966043
Molecular FormulaC13H13NS2
Molecular Weight247.39 g/mol
Exact Mass247.05
IUPAC Name2-[2,4-bis(methylsulfanyl)phenyl]pyridine
SMILESCSc1ccc(-c2ccccn2)c(SC)c1
InChIInChI=1S/C13H13NS2/c1-15-10-6-7-11(13(9-10)16-2)12-5-3-4-8-14-12/h3-9H,1-2H3
InChIKeyLORJSDNKNSLECX-UHFFFAOYSA-N
XLogP4.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-2-phenylsulfanylphenyl)pyridine
CID 122394964
2-(6-methylsulfanyl-1,3-benzodioxol-5-yl)pyridine
CID 135001402
4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 132837741
2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 159693643
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 177474050
2-(4-fluoro-2-propan-2-ylphenyl)pyridine
CID 143485897
4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine
CID 19866649
2-[4-(4-methylsulfanylphenyl)-6-phenylphosphinin-2-yl]pyridine
CID 102503516
4-[4-[2-(4-methylsulfanylphenyl)ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 132837740
5,8-dipyridin-2-ylquinoxaline
CID 102128450
2-(5-methyl-2-phenylsulfanylphenyl)pyridine
CID 102335497

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(methylsulfanyl)phenyl]pyridine?
The IUPAC name of 2-[2,4-bis(methylsulfanyl)phenyl]pyridine (CID 134966043) is 2-[2,4-bis(methylsulfanyl)phenyl]pyridine.
What is the SMILES notation for 2-[2,4-bis(methylsulfanyl)phenyl]pyridine?
The canonical SMILES for 2-[2,4-bis(methylsulfanyl)phenyl]pyridine is CSc1ccc(-c2ccccn2)c(SC)c1.
What is the InChIKey of 2-[2,4-bis(methylsulfanyl)phenyl]pyridine?
The InChIKey is LORJSDNKNSLECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS2/c1-15-10-6-7-11(13(9-10)16-2)12-5-3-4-8-14-12/h3-9H,1-2H3.
What are the key properties of 2-[2,4-bis(methylsulfanyl)phenyl]pyridine?
2-[2,4-bis(methylsulfanyl)phenyl]pyridine has a molecular weight of 247.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(methylsulfanyl)phenyl]pyridine is sourced from PubChem (CID 134966043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).