4-[1-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine

C16H17NOS2 — CID 162649836

IUPAC4-[1-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine
SMILESC=C(c1ccc(OC)cc1)c1cc(SC)nc(SC)c1
InChIInChI=1S/C16H17NOS2/c1-11(12-5-7-14(18-2)8-6-12)13-9-15(19-3)17-16(10-13)20-4/h5-10H,1H2,2-4H3
InChIKeyUSINGHCSBXYULX-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.60
Rot. Bonds5

About 4-[1-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine

4-[1-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine (PubChem CID 162649836) has the molecular formula C16H17NOS2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine
PubChem CID162649836
Molecular FormulaC16H17NOS2
Molecular Weight303.45 g/mol
Exact Mass303.08
IUPAC Name4-[1-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine
SMILESC=C(c1ccc(OC)cc1)c1cc(SC)nc(SC)c1
InChIInChI=1S/C16H17NOS2/c1-11(12-5-7-14(18-2)8-6-12)13-9-15(19-3)17-16(10-13)20-4/h5-10H,1H2,2-4H3
InChIKeyUSINGHCSBXYULX-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Methoxyphenyl)-2-(methylsulfinyl)-4-phenylnicotinonitrile
CID 697592
4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile
CID 1049792
2-[(4-Methoxybenzyl)sulfanyl]-4,6-dimethyl-3-pyridinyl methyl sulfone
CID 1480821
6-Cyclopropyl-4-(4-methoxyphenyl)-2-(2-oxopropylthio)nicotinonitrile
CID 44565873
N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine
CID 162650517
N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(4-methoxyphenyl)methylidene]hydroxylamine
CID 162663629
2-Chloro-4-[1-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyridine
CID 162667474
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine
CID 162667697
2-[(4-Methoxyphenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 975730
4-[1-(4-Methoxyphenyl)ethyl]-2,6-bis(methylsulfanyl)pyridine
CID 162644218
[2,6-Bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methanone
CID 162669425
2-Ethylsulfanyl-6-(4-methoxy-phenyl)-nicotinonitrile
CID 653669

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine?
The IUPAC name of 4-[1-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine (CID 162649836) is 4-[1-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine?
The canonical SMILES for 4-[1-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine is C=C(c1ccc(OC)cc1)c1cc(SC)nc(SC)c1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine?
The InChIKey is USINGHCSBXYULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS2/c1-11(12-5-7-14(18-2)8-6-12)13-9-15(19-3)17-16(10-13)20-4/h5-10H,1H2,2-4H3.
What are the key properties of 4-[1-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine?
4-[1-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine has a molecular weight of 303.45 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine is sourced from PubChem (CID 162649836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).