5-methyl-2-(4-methylsulfanylphenyl)sulfanylpyridine

C13H13NS2 — CID 58990195

IUPAC5-methyl-2-(4-methylsulfanylphenyl)sulfanylpyridine
SMILESCSc1ccc(Sc2ccc(C)cn2)cc1
InChIInChI=1S/C13H13NS2/c1-10-3-8-13(14-9-10)16-12-6-4-11(15-2)5-7-12/h3-9H,1-2H3
InChIKeyTYHDXPTZDUETFP-UHFFFAOYSA-N
MW247.39 g/mol
LogP4.26
Rot. Bonds3

About 5-methyl-2-(4-methylsulfanylphenyl)sulfanylpyridine

5-methyl-2-(4-methylsulfanylphenyl)sulfanylpyridine (PubChem CID 58990195) has the molecular formula C13H13NS2 and a molecular weight of 247.39 g/mol. Its IUPAC name is 5-methyl-2-(4-methylsulfanylphenyl)sulfanylpyridine.

Molecular Properties

Compound Name5-methyl-2-(4-methylsulfanylphenyl)sulfanylpyridine
PubChem CID58990195
Molecular FormulaC13H13NS2
Molecular Weight247.39 g/mol
Exact Mass247.05
IUPAC Name5-methyl-2-(4-methylsulfanylphenyl)sulfanylpyridine
SMILESCSc1ccc(Sc2ccc(C)cn2)cc1
InChIInChI=1S/C13H13NS2/c1-10-3-8-13(14-9-10)16-12-6-4-11(15-2)5-7-12/h3-9H,1-2H3
InChIKeyTYHDXPTZDUETFP-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylsulfanylphenyl)sulfanylpyridine?
The IUPAC name of 5-methyl-2-(4-methylsulfanylphenyl)sulfanylpyridine (CID 58990195) is 5-methyl-2-(4-methylsulfanylphenyl)sulfanylpyridine.
What is the SMILES notation for 5-methyl-2-(4-methylsulfanylphenyl)sulfanylpyridine?
The canonical SMILES for 5-methyl-2-(4-methylsulfanylphenyl)sulfanylpyridine is CSc1ccc(Sc2ccc(C)cn2)cc1.
What is the InChIKey of 5-methyl-2-(4-methylsulfanylphenyl)sulfanylpyridine?
The InChIKey is TYHDXPTZDUETFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS2/c1-10-3-8-13(14-9-10)16-12-6-4-11(15-2)5-7-12/h3-9H,1-2H3.
What are the key properties of 5-methyl-2-(4-methylsulfanylphenyl)sulfanylpyridine?
5-methyl-2-(4-methylsulfanylphenyl)sulfanylpyridine has a molecular weight of 247.39 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylsulfanylphenyl)sulfanylpyridine is sourced from PubChem (CID 58990195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).