3-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine

C18H15ClN2S — CID 7206020

IUPAC3-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine
SMILESCc1ccc(-c2ccc(SCc3cccc(Cl)c3)nn2)cc1
InChIInChI=1S/C18H15ClN2S/c1-13-5-7-15(8-6-13)17-9-10-18(21-20-17)22-12-14-3-2-4-16(19)11-14/h2-11H,12H2,1H3
InChIKeyOSXKKZWAFYQBGL-UHFFFAOYSA-N
MW326.85 g/mol
LogP5.40
Rot. Bonds4

About 3-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine

3-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine (PubChem CID 7206020) has the molecular formula C18H15ClN2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine
PubChem CID7206020
Molecular FormulaC18H15ClN2S
Molecular Weight326.85 g/mol
Exact Mass326.06
IUPAC Name3-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine
SMILESCc1ccc(-c2ccc(SCc3cccc(Cl)c3)nn2)cc1
InChIInChI=1S/C18H15ClN2S/c1-13-5-7-15(8-6-13)17-9-10-18(21-20-17)22-12-14-3-2-4-16(19)11-14/h2-11H,12H2,1H3
InChIKeyOSXKKZWAFYQBGL-UHFFFAOYSA-N
XLogP5.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.85
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine?
The IUPAC name of 3-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine (CID 7206020) is 3-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine.
What is the SMILES notation for 3-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine?
The canonical SMILES for 3-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine is Cc1ccc(-c2ccc(SCc3cccc(Cl)c3)nn2)cc1.
What is the InChIKey of 3-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine?
The InChIKey is OSXKKZWAFYQBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2S/c1-13-5-7-15(8-6-13)17-9-10-18(21-20-17)22-12-14-3-2-4-16(19)11-14/h2-11H,12H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine?
3-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine has a molecular weight of 326.85 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine is sourced from PubChem (CID 7206020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).