3,6-dithiophen-2-ylimidazo[1,2-b]pyridazine

C14H9N3S2 — CID 126672854

IUPAC3,6-dithiophen-2-ylimidazo[1,2-b]pyridazine
SMILESc1csc(-c2ccc3ncc(-c4cccs4)n3n2)c1
InChIInChI=1S/C14H9N3S2/c1-3-12(18-7-1)10-5-6-14-15-9-11(17(14)16-10)13-4-2-8-19-13/h1-9H
InChIKeyCMXBVZWPXHULPQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.19
Rot. Bonds2

About 3,6-dithiophen-2-ylimidazo[1,2-b]pyridazine

3,6-dithiophen-2-ylimidazo[1,2-b]pyridazine (PubChem CID 126672854) has the molecular formula C14H9N3S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3,6-dithiophen-2-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3,6-dithiophen-2-ylimidazo[1,2-b]pyridazine
PubChem CID126672854
Molecular FormulaC14H9N3S2
Molecular Weight283.38 g/mol
Exact Mass283.02
IUPAC Name3,6-dithiophen-2-ylimidazo[1,2-b]pyridazine
SMILESc1csc(-c2ccc3ncc(-c4cccs4)n3n2)c1
InChIInChI=1S/C14H9N3S2/c1-3-12(18-7-1)10-5-6-14-15-9-11(17(14)16-10)13-4-2-8-19-13/h1-9H
InChIKeyCMXBVZWPXHULPQ-UHFFFAOYSA-N
XLogP4.19
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dithiophen-2-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 3,6-dithiophen-2-ylimidazo[1,2-b]pyridazine (CID 126672854) is 3,6-dithiophen-2-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3,6-dithiophen-2-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3,6-dithiophen-2-ylimidazo[1,2-b]pyridazine is c1csc(-c2ccc3ncc(-c4cccs4)n3n2)c1.
What is the InChIKey of 3,6-dithiophen-2-ylimidazo[1,2-b]pyridazine?
The InChIKey is CMXBVZWPXHULPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3S2/c1-3-12(18-7-1)10-5-6-14-15-9-11(17(14)16-10)13-4-2-8-19-13/h1-9H.
What are the key properties of 3,6-dithiophen-2-ylimidazo[1,2-b]pyridazine?
3,6-dithiophen-2-ylimidazo[1,2-b]pyridazine has a molecular weight of 283.38 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dithiophen-2-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 126672854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).