3-(furan-2-yl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine

C16H14N2OS — CID 7207092

IUPAC3-(furan-2-yl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
SMILESCc1cccc(CSc2ccc(-c3ccco3)nn2)c1
InChIInChI=1S/C16H14N2OS/c1-12-4-2-5-13(10-12)11-20-16-8-7-14(17-18-16)15-6-3-9-19-15/h2-10H,11H2,1H3
InChIKeyIJCUPIJICISINC-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.34
Rot. Bonds4

About 3-(furan-2-yl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine

3-(furan-2-yl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine (PubChem CID 7207092) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine.

Molecular Properties

Compound Name3-(furan-2-yl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
PubChem CID7207092
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name3-(furan-2-yl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
SMILESCc1cccc(CSc2ccc(-c3ccco3)nn2)c1
InChIInChI=1S/C16H14N2OS/c1-12-4-2-5-13(10-12)11-20-16-8-7-14(17-18-16)15-6-3-9-19-15/h2-10H,11H2,1H3
InChIKeyIJCUPIJICISINC-UHFFFAOYSA-N
XLogP4.34
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine?
The IUPAC name of 3-(furan-2-yl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine (CID 7207092) is 3-(furan-2-yl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine.
What is the SMILES notation for 3-(furan-2-yl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine?
The canonical SMILES for 3-(furan-2-yl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine is Cc1cccc(CSc2ccc(-c3ccco3)nn2)c1.
What is the InChIKey of 3-(furan-2-yl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine?
The InChIKey is IJCUPIJICISINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-12-4-2-5-13(10-12)11-20-16-8-7-14(17-18-16)15-6-3-9-19-15/h2-10H,11H2,1H3.
What are the key properties of 3-(furan-2-yl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine?
3-(furan-2-yl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine has a molecular weight of 282.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine is sourced from PubChem (CID 7207092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).