3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine

C16H14N2S2 — CID 12006141

IUPAC3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine
SMILESCc1ccc(CSc2ccc(-c3cccs3)nn2)cc1
InChIInChI=1S/C16H14N2S2/c1-12-4-6-13(7-5-12)11-20-16-9-8-14(17-18-16)15-3-2-10-19-15/h2-10H,11H2,1H3
InChIKeyHHSZWXGVZBGPRP-UHFFFAOYSA-N
MW298.44 g/mol
LogP4.81
Rot. Bonds4

About 3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine

3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine (PubChem CID 12006141) has the molecular formula C16H14N2S2 and a molecular weight of 298.44 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine.

Molecular Properties

Compound Name3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine
PubChem CID12006141
Molecular FormulaC16H14N2S2
Molecular Weight298.44 g/mol
Exact Mass298.06
IUPAC Name3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine
SMILESCc1ccc(CSc2ccc(-c3cccs3)nn2)cc1
InChIInChI=1S/C16H14N2S2/c1-12-4-6-13(7-5-12)11-20-16-9-8-14(17-18-16)15-3-2-10-19-15/h2-10H,11H2,1H3
InChIKeyHHSZWXGVZBGPRP-UHFFFAOYSA-N
XLogP4.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine?
The IUPAC name of 3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine (CID 12006141) is 3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine.
What is the SMILES notation for 3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine?
The canonical SMILES for 3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine is Cc1ccc(CSc2ccc(-c3cccs3)nn2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine?
The InChIKey is HHSZWXGVZBGPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S2/c1-12-4-6-13(7-5-12)11-20-16-9-8-14(17-18-16)15-3-2-10-19-15/h2-10H,11H2,1H3.
What are the key properties of 3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine?
3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine has a molecular weight of 298.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine is sourced from PubChem (CID 12006141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).