3,6-dichloro-5-methylthieno[2,3-c]pyridazine

C7H4Cl2N2S — CID 170350232

IUPAC3,6-dichloro-5-methylthieno[2,3-c]pyridazine
SMILESCc1c(Cl)sc2nnc(Cl)cc12
InChIInChI=1S/C7H4Cl2N2S/c1-3-4-2-5(8)10-11-7(4)12-6(3)9/h2H,1H3
InChIKeyYQKMCJURBUGXHH-UHFFFAOYSA-N
MW219.10 g/mol
LogP3.31
Rot. Bonds

About 3,6-dichloro-5-methylthieno[2,3-c]pyridazine

3,6-dichloro-5-methylthieno[2,3-c]pyridazine (PubChem CID 170350232) has the molecular formula C7H4Cl2N2S and a molecular weight of 219.10 g/mol. Its IUPAC name is 3,6-dichloro-5-methylthieno[2,3-c]pyridazine.

Molecular Properties

Compound Name3,6-dichloro-5-methylthieno[2,3-c]pyridazine
PubChem CID170350232
Molecular FormulaC7H4Cl2N2S
Molecular Weight219.10 g/mol
Exact Mass217.95
IUPAC Name3,6-dichloro-5-methylthieno[2,3-c]pyridazine
SMILESCc1c(Cl)sc2nnc(Cl)cc12
InChIInChI=1S/C7H4Cl2N2S/c1-3-4-2-5(8)10-11-7(4)12-6(3)9/h2H,1H3
InChIKeyYQKMCJURBUGXHH-UHFFFAOYSA-N
XLogP3.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-methylthieno[2,3-c]pyridazine?
The IUPAC name of 3,6-dichloro-5-methylthieno[2,3-c]pyridazine (CID 170350232) is 3,6-dichloro-5-methylthieno[2,3-c]pyridazine.
What is the SMILES notation for 3,6-dichloro-5-methylthieno[2,3-c]pyridazine?
The canonical SMILES for 3,6-dichloro-5-methylthieno[2,3-c]pyridazine is Cc1c(Cl)sc2nnc(Cl)cc12.
What is the InChIKey of 3,6-dichloro-5-methylthieno[2,3-c]pyridazine?
The InChIKey is YQKMCJURBUGXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2S/c1-3-4-2-5(8)10-11-7(4)12-6(3)9/h2H,1H3.
What are the key properties of 3,6-dichloro-5-methylthieno[2,3-c]pyridazine?
3,6-dichloro-5-methylthieno[2,3-c]pyridazine has a molecular weight of 219.10 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-methylthieno[2,3-c]pyridazine is sourced from PubChem (CID 170350232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).