2-ethyl-5-methyl-3-(4-methylsulfanylphenyl)-6-[(4-methylsulfanylphenyl)methyl]pyridine

C23H25NS2 — CID 46907062

IUPAC2-ethyl-5-methyl-3-(4-methylsulfanylphenyl)-6-[(4-methylsulfanylphenyl)methyl]pyridine
SMILESCCc1nc(Cc2ccc(SC)cc2)c(C)cc1-c1ccc(SC)cc1
InChIInChI=1S/C23H25NS2/c1-5-22-21(18-8-12-20(26-4)13-9-18)14-16(2)23(24-22)15-17-6-10-19(25-3)11-7-17/h6-14H,5,15H2,1-4H3
InChIKeyMACXHYNDMFRKOB-UHFFFAOYSA-N
MW379.59 g/mol
LogP6.65
Rot. Bonds6

About 2-ethyl-5-methyl-3-(4-methylsulfanylphenyl)-6-[(4-methylsulfanylphenyl)methyl]pyridine

2-ethyl-5-methyl-3-(4-methylsulfanylphenyl)-6-[(4-methylsulfanylphenyl)methyl]pyridine (PubChem CID 46907062) has the molecular formula C23H25NS2 and a molecular weight of 379.59 g/mol. Its IUPAC name is 2-ethyl-5-methyl-3-(4-methylsulfanylphenyl)-6-[(4-methylsulfanylphenyl)methyl]pyridine.

Molecular Properties

Compound Name2-ethyl-5-methyl-3-(4-methylsulfanylphenyl)-6-[(4-methylsulfanylphenyl)methyl]pyridine
PubChem CID46907062
Molecular FormulaC23H25NS2
Molecular Weight379.59 g/mol
Exact Mass379.14
IUPAC Name2-ethyl-5-methyl-3-(4-methylsulfanylphenyl)-6-[(4-methylsulfanylphenyl)methyl]pyridine
SMILESCCc1nc(Cc2ccc(SC)cc2)c(C)cc1-c1ccc(SC)cc1
InChIInChI=1S/C23H25NS2/c1-5-22-21(18-8-12-20(26-4)13-9-18)14-16(2)23(24-22)15-17-6-10-19(25-3)11-7-17/h6-14H,5,15H2,1-4H3
InChIKeyMACXHYNDMFRKOB-UHFFFAOYSA-N
XLogP6.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-3-(4-methylsulfanylphenyl)-6-[(4-methylsulfanylphenyl)methyl]pyridine?
The IUPAC name of 2-ethyl-5-methyl-3-(4-methylsulfanylphenyl)-6-[(4-methylsulfanylphenyl)methyl]pyridine (CID 46907062) is 2-ethyl-5-methyl-3-(4-methylsulfanylphenyl)-6-[(4-methylsulfanylphenyl)methyl]pyridine.
What is the SMILES notation for 2-ethyl-5-methyl-3-(4-methylsulfanylphenyl)-6-[(4-methylsulfanylphenyl)methyl]pyridine?
The canonical SMILES for 2-ethyl-5-methyl-3-(4-methylsulfanylphenyl)-6-[(4-methylsulfanylphenyl)methyl]pyridine is CCc1nc(Cc2ccc(SC)cc2)c(C)cc1-c1ccc(SC)cc1.
What is the InChIKey of 2-ethyl-5-methyl-3-(4-methylsulfanylphenyl)-6-[(4-methylsulfanylphenyl)methyl]pyridine?
The InChIKey is MACXHYNDMFRKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NS2/c1-5-22-21(18-8-12-20(26-4)13-9-18)14-16(2)23(24-22)15-17-6-10-19(25-3)11-7-17/h6-14H,5,15H2,1-4H3.
What are the key properties of 2-ethyl-5-methyl-3-(4-methylsulfanylphenyl)-6-[(4-methylsulfanylphenyl)methyl]pyridine?
2-ethyl-5-methyl-3-(4-methylsulfanylphenyl)-6-[(4-methylsulfanylphenyl)methyl]pyridine has a molecular weight of 379.59 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-3-(4-methylsulfanylphenyl)-6-[(4-methylsulfanylphenyl)methyl]pyridine is sourced from PubChem (CID 46907062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).