3-chloro-6-(4-methylsulfanylphenyl)pyridazine

C11H9ClN2S — CID 58683819

IUPAC3-chloro-6-(4-methylsulfanylphenyl)pyridazine
SMILESCSc1ccc(-c2ccc(Cl)nn2)cc1
InChIInChI=1S/C11H9ClN2S/c1-15-9-4-2-8(3-5-9)10-6-7-11(12)14-13-10/h2-7H,1H3
InChIKeyGPESJCWQDIRYER-UHFFFAOYSA-N
MW236.73 g/mol
LogP3.52
Rot. Bonds2

About 3-chloro-6-(4-methylsulfanylphenyl)pyridazine

3-chloro-6-(4-methylsulfanylphenyl)pyridazine (PubChem CID 58683819) has the molecular formula C11H9ClN2S and a molecular weight of 236.73 g/mol. Its IUPAC name is 3-chloro-6-(4-methylsulfanylphenyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(4-methylsulfanylphenyl)pyridazine
PubChem CID58683819
Molecular FormulaC11H9ClN2S
Molecular Weight236.73 g/mol
Exact Mass236.02
IUPAC Name3-chloro-6-(4-methylsulfanylphenyl)pyridazine
SMILESCSc1ccc(-c2ccc(Cl)nn2)cc1
InChIInChI=1S/C11H9ClN2S/c1-15-9-4-2-8(3-5-9)10-6-7-11(12)14-13-10/h2-7H,1H3
InChIKeyGPESJCWQDIRYER-UHFFFAOYSA-N
XLogP3.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.73
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-methylsulfanylphenyl)pyridazine?
The IUPAC name of 3-chloro-6-(4-methylsulfanylphenyl)pyridazine (CID 58683819) is 3-chloro-6-(4-methylsulfanylphenyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(4-methylsulfanylphenyl)pyridazine?
The canonical SMILES for 3-chloro-6-(4-methylsulfanylphenyl)pyridazine is CSc1ccc(-c2ccc(Cl)nn2)cc1.
What is the InChIKey of 3-chloro-6-(4-methylsulfanylphenyl)pyridazine?
The InChIKey is GPESJCWQDIRYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2S/c1-15-9-4-2-8(3-5-9)10-6-7-11(12)14-13-10/h2-7H,1H3.
What are the key properties of 3-chloro-6-(4-methylsulfanylphenyl)pyridazine?
3-chloro-6-(4-methylsulfanylphenyl)pyridazine has a molecular weight of 236.73 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-methylsulfanylphenyl)pyridazine is sourced from PubChem (CID 58683819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).