3-benzylsulfanyl-6-thiophen-2-ylpyridazine

C15H12N2S2 — CID 6624149

IUPAC3-benzylsulfanyl-6-thiophen-2-ylpyridazine
SMILESc1ccc(CSc2ccc(-c3cccs3)nn2)cc1
InChIInChI=1S/C15H12N2S2/c1-2-5-12(6-3-1)11-19-15-9-8-13(16-17-15)14-7-4-10-18-14/h1-10H,11H2
InChIKeyALXJYDIYDDOWBL-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.50
Rot. Bonds4

About 3-benzylsulfanyl-6-thiophen-2-ylpyridazine

3-benzylsulfanyl-6-thiophen-2-ylpyridazine (PubChem CID 6624149) has the molecular formula C15H12N2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-benzylsulfanyl-6-thiophen-2-ylpyridazine.

Molecular Properties

Compound Name3-benzylsulfanyl-6-thiophen-2-ylpyridazine
PubChem CID6624149
Molecular FormulaC15H12N2S2
Molecular Weight284.41 g/mol
Exact Mass284.04
IUPAC Name3-benzylsulfanyl-6-thiophen-2-ylpyridazine
SMILESc1ccc(CSc2ccc(-c3cccs3)nn2)cc1
InChIInChI=1S/C15H12N2S2/c1-2-5-12(6-3-1)11-19-15-9-8-13(16-17-15)14-7-4-10-18-14/h1-10H,11H2
InChIKeyALXJYDIYDDOWBL-UHFFFAOYSA-N
XLogP4.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-6-thiophen-2-ylpyridazine?
The IUPAC name of 3-benzylsulfanyl-6-thiophen-2-ylpyridazine (CID 6624149) is 3-benzylsulfanyl-6-thiophen-2-ylpyridazine.
What is the SMILES notation for 3-benzylsulfanyl-6-thiophen-2-ylpyridazine?
The canonical SMILES for 3-benzylsulfanyl-6-thiophen-2-ylpyridazine is c1ccc(CSc2ccc(-c3cccs3)nn2)cc1.
What is the InChIKey of 3-benzylsulfanyl-6-thiophen-2-ylpyridazine?
The InChIKey is ALXJYDIYDDOWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S2/c1-2-5-12(6-3-1)11-19-15-9-8-13(16-17-15)14-7-4-10-18-14/h1-10H,11H2.
What are the key properties of 3-benzylsulfanyl-6-thiophen-2-ylpyridazine?
3-benzylsulfanyl-6-thiophen-2-ylpyridazine has a molecular weight of 284.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-6-thiophen-2-ylpyridazine is sourced from PubChem (CID 6624149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).