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

C16H19NOS2 — CID 162644218

IUPAC4-[1-(4-methoxyphenyl)ethyl]-2,6-bis(methylsulfanyl)pyridine
SMILESCOc1ccc(C(C)c2cc(SC)nc(SC)c2)cc1
InChIInChI=1S/C16H19NOS2/c1-11(12-5-7-14(18-2)8-6-12)13-9-15(19-3)17-16(10-13)20-4/h5-11H,1-4H3
InChIKeyDDQODUQAHQDBGK-UHFFFAOYSA-N
MW305.47 g/mol
LogP4.69
Rot. Bonds5

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

4-[1-(4-methoxyphenyl)ethyl]-2,6-bis(methylsulfanyl)pyridine (PubChem CID 162644218) has the molecular formula C16H19NOS2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)ethyl]-2,6-bis(methylsulfanyl)pyridine.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)ethyl]-2,6-bis(methylsulfanyl)pyridine
PubChem CID162644218
Molecular FormulaC16H19NOS2
Molecular Weight305.47 g/mol
Exact Mass305.09
IUPAC Name4-[1-(4-methoxyphenyl)ethyl]-2,6-bis(methylsulfanyl)pyridine
SMILESCOc1ccc(C(C)c2cc(SC)nc(SC)c2)cc1
InChIInChI=1S/C16H19NOS2/c1-11(12-5-7-14(18-2)8-6-12)13-9-15(19-3)17-16(10-13)20-4/h5-11H,1-4H3
InChIKeyDDQODUQAHQDBGK-UHFFFAOYSA-N
XLogP4.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 1049792
CID 1049792
CID 1480821
CID 1480821
CID 44565873
CID 44565873
CID 162649836
CID 162649836
CID 162650517
CID 162650517
CID 162663629
CID 162663629
CID 162667474
CID 162667474
CID 162667697
CID 162667697
CID 975730
CID 975730
CID 162669425
CID 162669425
CID 653669
CID 653669
CID 1067657
CID 1067657

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)ethyl]-2,6-bis(methylsulfanyl)pyridine?
The IUPAC name of 4-[1-(4-methoxyphenyl)ethyl]-2,6-bis(methylsulfanyl)pyridine (CID 162644218) is 4-[1-(4-methoxyphenyl)ethyl]-2,6-bis(methylsulfanyl)pyridine.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)ethyl]-2,6-bis(methylsulfanyl)pyridine?
The canonical SMILES for 4-[1-(4-methoxyphenyl)ethyl]-2,6-bis(methylsulfanyl)pyridine is COc1ccc(C(C)c2cc(SC)nc(SC)c2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)ethyl]-2,6-bis(methylsulfanyl)pyridine?
The InChIKey is DDQODUQAHQDBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS2/c1-11(12-5-7-14(18-2)8-6-12)13-9-15(19-3)17-16(10-13)20-4/h5-11H,1-4H3.
What are the key properties of 4-[1-(4-methoxyphenyl)ethyl]-2,6-bis(methylsulfanyl)pyridine?
4-[1-(4-methoxyphenyl)ethyl]-2,6-bis(methylsulfanyl)pyridine has a molecular weight of 305.47 g/mol, XLogP of 4.69, 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)ethyl]-2,6-bis(methylsulfanyl)pyridine is sourced from PubChem (CID 162644218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).