3-(furan-2-yl)-6-methylsulfanylpyridazine

C9H8N2OS — CID 6624109

IUPAC3-(furan-2-yl)-6-methylsulfanylpyridazine
SMILESCSc1ccc(-c2ccco2)nn1
InChIInChI=1S/C9H8N2OS/c1-13-9-5-4-7(10-11-9)8-3-2-6-12-8/h2-6H,1H3
InChIKeyJZRBFNZPQHOTKA-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.46
Rot. Bonds2

About 3-(furan-2-yl)-6-methylsulfanylpyridazine

3-(furan-2-yl)-6-methylsulfanylpyridazine (PubChem CID 6624109) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-methylsulfanylpyridazine.

Molecular Properties

Compound Name3-(furan-2-yl)-6-methylsulfanylpyridazine
PubChem CID6624109
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name3-(furan-2-yl)-6-methylsulfanylpyridazine
SMILESCSc1ccc(-c2ccco2)nn1
InChIInChI=1S/C9H8N2OS/c1-13-9-5-4-7(10-11-9)8-3-2-6-12-8/h2-6H,1H3
InChIKeyJZRBFNZPQHOTKA-UHFFFAOYSA-N
XLogP2.46
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.46
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-methylsulfanylpyridazine?
The IUPAC name of 3-(furan-2-yl)-6-methylsulfanylpyridazine (CID 6624109) is 3-(furan-2-yl)-6-methylsulfanylpyridazine.
What is the SMILES notation for 3-(furan-2-yl)-6-methylsulfanylpyridazine?
The canonical SMILES for 3-(furan-2-yl)-6-methylsulfanylpyridazine is CSc1ccc(-c2ccco2)nn1.
What is the InChIKey of 3-(furan-2-yl)-6-methylsulfanylpyridazine?
The InChIKey is JZRBFNZPQHOTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-13-9-5-4-7(10-11-9)8-3-2-6-12-8/h2-6H,1H3.
What are the key properties of 3-(furan-2-yl)-6-methylsulfanylpyridazine?
3-(furan-2-yl)-6-methylsulfanylpyridazine has a molecular weight of 192.24 g/mol, XLogP of 2.46, 2 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-methylsulfanylpyridazine is sourced from PubChem (CID 6624109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).