3-(4-ethoxyphenyl)-6-ethylsulfanylpyridazine

C14H16N2OS — CID 7502726

IUPAC3-(4-ethoxyphenyl)-6-ethylsulfanylpyridazine
SMILESCCOc1ccc(-c2ccc(SCC)nn2)cc1
InChIInChI=1S/C14H16N2OS/c1-3-17-12-7-5-11(6-8-12)13-9-10-14(16-15-13)18-4-2/h5-10H,3-4H2,1-2H3
InChIKeyQMBDPLBHRBIGET-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.65
Rot. Bonds5

About 3-(4-ethoxyphenyl)-6-ethylsulfanylpyridazine

3-(4-ethoxyphenyl)-6-ethylsulfanylpyridazine (PubChem CID 7502726) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-6-ethylsulfanylpyridazine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-6-ethylsulfanylpyridazine
PubChem CID7502726
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name3-(4-ethoxyphenyl)-6-ethylsulfanylpyridazine
SMILESCCOc1ccc(-c2ccc(SCC)nn2)cc1
InChIInChI=1S/C14H16N2OS/c1-3-17-12-7-5-11(6-8-12)13-9-10-14(16-15-13)18-4-2/h5-10H,3-4H2,1-2H3
InChIKeyQMBDPLBHRBIGET-UHFFFAOYSA-N
XLogP3.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-6-ethylsulfanylpyridazine?
The IUPAC name of 3-(4-ethoxyphenyl)-6-ethylsulfanylpyridazine (CID 7502726) is 3-(4-ethoxyphenyl)-6-ethylsulfanylpyridazine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-6-ethylsulfanylpyridazine?
The canonical SMILES for 3-(4-ethoxyphenyl)-6-ethylsulfanylpyridazine is CCOc1ccc(-c2ccc(SCC)nn2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-6-ethylsulfanylpyridazine?
The InChIKey is QMBDPLBHRBIGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-3-17-12-7-5-11(6-8-12)13-9-10-14(16-15-13)18-4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-6-ethylsulfanylpyridazine?
3-(4-ethoxyphenyl)-6-ethylsulfanylpyridazine has a molecular weight of 260.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-6-ethylsulfanylpyridazine is sourced from PubChem (CID 7502726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).