3-(4-methoxyphenyl)-6-methylsulfanylpyridazine

C12H12N2OS — CID 7502647

IUPAC3-(4-methoxyphenyl)-6-methylsulfanylpyridazine
SMILESCOc1ccc(-c2ccc(SC)nn2)cc1
InChIInChI=1S/C12H12N2OS/c1-15-10-5-3-9(4-6-10)11-7-8-12(16-2)14-13-11/h3-8H,1-2H3
InChIKeyOAGCSHGAWZMHJP-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.87
Rot. Bonds3

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

3-(4-methoxyphenyl)-6-methylsulfanylpyridazine (PubChem CID 7502647) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-methylsulfanylpyridazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-methylsulfanylpyridazine
PubChem CID7502647
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name3-(4-methoxyphenyl)-6-methylsulfanylpyridazine
SMILESCOc1ccc(-c2ccc(SC)nn2)cc1
InChIInChI=1S/C12H12N2OS/c1-15-10-5-3-9(4-6-10)11-7-8-12(16-2)14-13-11/h3-8H,1-2H3
InChIKeyOAGCSHGAWZMHJP-UHFFFAOYSA-N
XLogP2.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-methylsulfanylpyridazine?
The IUPAC name of 3-(4-methoxyphenyl)-6-methylsulfanylpyridazine (CID 7502647) is 3-(4-methoxyphenyl)-6-methylsulfanylpyridazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-methylsulfanylpyridazine?
The canonical SMILES for 3-(4-methoxyphenyl)-6-methylsulfanylpyridazine is COc1ccc(-c2ccc(SC)nn2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-methylsulfanylpyridazine?
The InChIKey is OAGCSHGAWZMHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-15-10-5-3-9(4-6-10)11-7-8-12(16-2)14-13-11/h3-8H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-6-methylsulfanylpyridazine?
3-(4-methoxyphenyl)-6-methylsulfanylpyridazine has a molecular weight of 232.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-methylsulfanylpyridazine is sourced from PubChem (CID 7502647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).