3-methylsulfanyl-4-(4-propylphenyl)pyridine

C15H17NS — CID 46831469

IUPAC3-methylsulfanyl-4-(4-propylphenyl)pyridine
SMILESCCCc1ccc(-c2ccncc2SC)cc1
InChIInChI=1S/C15H17NS/c1-3-4-12-5-7-13(8-6-12)14-9-10-16-11-15(14)17-2/h5-11H,3-4H2,1-2H3
InChIKeyGYFWSNHPBFRHBS-UHFFFAOYSA-N
MW243.38 g/mol
LogP4.42
Rot. Bonds4

About 3-methylsulfanyl-4-(4-propylphenyl)pyridine

3-methylsulfanyl-4-(4-propylphenyl)pyridine (PubChem CID 46831469) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-methylsulfanyl-4-(4-propylphenyl)pyridine.

Molecular Properties

Compound Name3-methylsulfanyl-4-(4-propylphenyl)pyridine
PubChem CID46831469
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name3-methylsulfanyl-4-(4-propylphenyl)pyridine
SMILESCCCc1ccc(-c2ccncc2SC)cc1
InChIInChI=1S/C15H17NS/c1-3-4-12-5-7-13(8-6-12)14-9-10-16-11-15(14)17-2/h5-11H,3-4H2,1-2H3
InChIKeyGYFWSNHPBFRHBS-UHFFFAOYSA-N
XLogP4.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-4-(4-propylphenyl)pyridine?
The IUPAC name of 3-methylsulfanyl-4-(4-propylphenyl)pyridine (CID 46831469) is 3-methylsulfanyl-4-(4-propylphenyl)pyridine.
What is the SMILES notation for 3-methylsulfanyl-4-(4-propylphenyl)pyridine?
The canonical SMILES for 3-methylsulfanyl-4-(4-propylphenyl)pyridine is CCCc1ccc(-c2ccncc2SC)cc1.
What is the InChIKey of 3-methylsulfanyl-4-(4-propylphenyl)pyridine?
The InChIKey is GYFWSNHPBFRHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-3-4-12-5-7-13(8-6-12)14-9-10-16-11-15(14)17-2/h5-11H,3-4H2,1-2H3.
What are the key properties of 3-methylsulfanyl-4-(4-propylphenyl)pyridine?
3-methylsulfanyl-4-(4-propylphenyl)pyridine has a molecular weight of 243.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-4-(4-propylphenyl)pyridine is sourced from PubChem (CID 46831469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).