4-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine

C16H17NOS2 — CID 162667697

IUPAC4-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine
SMILESCOc1ccc(/C=C\c2cc(SC)nc(SC)c2)cc1
InChIInChI=1S/C16H17NOS2/c1-18-14-8-6-12(7-9-14)4-5-13-10-15(19-2)17-16(11-13)20-3/h4-11H,1-3H3/b5-4-
InChIKeyJALNHMKNTXJOEA-PLNGDYQASA-N
MW303.45 g/mol
LogP4.70
Rot. Bonds5

About 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine

4-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine (PubChem CID 162667697) has the molecular formula C16H17NOS2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine.

Molecular Properties

Compound Name4-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine
PubChem CID162667697
Molecular FormulaC16H17NOS2
Molecular Weight303.45 g/mol
Exact Mass303.08
IUPAC Name4-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine
SMILESCOc1ccc(/C=C\c2cc(SC)nc(SC)c2)cc1
InChIInChI=1S/C16H17NOS2/c1-18-14-8-6-12(7-9-14)4-5-13-10-15(19-2)17-16(11-13)20-3/h4-11H,1-3H3/b5-4-
InChIKeyJALNHMKNTXJOEA-PLNGDYQASA-N
XLogP4.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine?
The IUPAC name of 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine (CID 162667697) is 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine.
What is the SMILES notation for 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine?
The canonical SMILES for 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine is COc1ccc(/C=C\c2cc(SC)nc(SC)c2)cc1.
What is the InChIKey of 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine?
The InChIKey is JALNHMKNTXJOEA-PLNGDYQASA-N. The full InChI is InChI=1S/C16H17NOS2/c1-18-14-8-6-12(7-9-14)4-5-13-10-15(19-2)17-16(11-13)20-3/h4-11H,1-3H3/b5-4-.
What are the key properties of 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine?
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine has a molecular weight of 303.45 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine is sourced from PubChem (CID 162667697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).