4-chloro-2-(4-chlorophenyl)-7-methylthieno[2,3-d]pyridazine

C13H8Cl2N2S — CID 89016982

IUPAC4-chloro-2-(4-chlorophenyl)-7-methylthieno[2,3-d]pyridazine
SMILESCc1nnc(Cl)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C13H8Cl2N2S/c1-7-12-10(13(15)17-16-7)6-11(18-12)8-2-4-9(14)5-3-8/h2-6H,1H3
InChIKeyIFBJNSXTYLZRMH-UHFFFAOYSA-N
MW295.19 g/mol
LogP4.97
Rot. Bonds1

About 4-chloro-2-(4-chlorophenyl)-7-methylthieno[2,3-d]pyridazine

4-chloro-2-(4-chlorophenyl)-7-methylthieno[2,3-d]pyridazine (PubChem CID 89016982) has the molecular formula C13H8Cl2N2S and a molecular weight of 295.19 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-7-methylthieno[2,3-d]pyridazine.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-7-methylthieno[2,3-d]pyridazine
PubChem CID89016982
Molecular FormulaC13H8Cl2N2S
Molecular Weight295.19 g/mol
Exact Mass293.98
IUPAC Name4-chloro-2-(4-chlorophenyl)-7-methylthieno[2,3-d]pyridazine
SMILESCc1nnc(Cl)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C13H8Cl2N2S/c1-7-12-10(13(15)17-16-7)6-11(18-12)8-2-4-9(14)5-3-8/h2-6H,1H3
InChIKeyIFBJNSXTYLZRMH-UHFFFAOYSA-N
XLogP4.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-7-methylthieno[2,3-d]pyridazine?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-7-methylthieno[2,3-d]pyridazine (CID 89016982) is 4-chloro-2-(4-chlorophenyl)-7-methylthieno[2,3-d]pyridazine.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-7-methylthieno[2,3-d]pyridazine?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-7-methylthieno[2,3-d]pyridazine is Cc1nnc(Cl)c2cc(-c3ccc(Cl)cc3)sc12.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-7-methylthieno[2,3-d]pyridazine?
The InChIKey is IFBJNSXTYLZRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2S/c1-7-12-10(13(15)17-16-7)6-11(18-12)8-2-4-9(14)5-3-8/h2-6H,1H3.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-7-methylthieno[2,3-d]pyridazine?
4-chloro-2-(4-chlorophenyl)-7-methylthieno[2,3-d]pyridazine has a molecular weight of 295.19 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)-7-methylthieno[2,3-d]pyridazine is sourced from PubChem (CID 89016982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).