3-(4-ethoxyphenyl)-6-methylsulfanylpyridazine

C13H14N2OS — CID 7502724

IUPAC3-(4-ethoxyphenyl)-6-methylsulfanylpyridazine
SMILESCCOc1ccc(-c2ccc(SC)nn2)cc1
InChIInChI=1S/C13H14N2OS/c1-3-16-11-6-4-10(5-7-11)12-8-9-13(17-2)15-14-12/h4-9H,3H2,1-2H3
InChIKeyHAFRFNYVRWOKPD-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.26
Rot. Bonds4

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

3-(4-ethoxyphenyl)-6-methylsulfanylpyridazine (PubChem CID 7502724) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-6-methylsulfanylpyridazine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-6-methylsulfanylpyridazine
PubChem CID7502724
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name3-(4-ethoxyphenyl)-6-methylsulfanylpyridazine
SMILESCCOc1ccc(-c2ccc(SC)nn2)cc1
InChIInChI=1S/C13H14N2OS/c1-3-16-11-6-4-10(5-7-11)12-8-9-13(17-2)15-14-12/h4-9H,3H2,1-2H3
InChIKeyHAFRFNYVRWOKPD-UHFFFAOYSA-N
XLogP3.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.26
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-methylsulfanylpyridazine?
The IUPAC name of 3-(4-ethoxyphenyl)-6-methylsulfanylpyridazine (CID 7502724) is 3-(4-ethoxyphenyl)-6-methylsulfanylpyridazine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-6-methylsulfanylpyridazine?
The canonical SMILES for 3-(4-ethoxyphenyl)-6-methylsulfanylpyridazine is CCOc1ccc(-c2ccc(SC)nn2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-6-methylsulfanylpyridazine?
The InChIKey is HAFRFNYVRWOKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-3-16-11-6-4-10(5-7-11)12-8-9-13(17-2)15-14-12/h4-9H,3H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-6-methylsulfanylpyridazine?
3-(4-ethoxyphenyl)-6-methylsulfanylpyridazine has a molecular weight of 246.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-6-methylsulfanylpyridazine is sourced from PubChem (CID 7502724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).