3-chloro-6,7-dimethylthieno[3,2-c]pyridazine

C8H7ClN2S — CID 157153766

IUPAC3-chloro-6,7-dimethylthieno[3,2-c]pyridazine
SMILESCc1sc2cc(Cl)nnc2c1C
InChIInChI=1S/C8H7ClN2S/c1-4-5(2)12-6-3-7(9)10-11-8(4)6/h3H,1-2H3
InChIKeyUOTBCAICDAEAES-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.96
Rot. Bonds

About 3-chloro-6,7-dimethylthieno[3,2-c]pyridazine

3-chloro-6,7-dimethylthieno[3,2-c]pyridazine (PubChem CID 157153766) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 3-chloro-6,7-dimethylthieno[3,2-c]pyridazine.

Molecular Properties

Compound Name3-chloro-6,7-dimethylthieno[3,2-c]pyridazine
PubChem CID157153766
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name3-chloro-6,7-dimethylthieno[3,2-c]pyridazine
SMILESCc1sc2cc(Cl)nnc2c1C
InChIInChI=1S/C8H7ClN2S/c1-4-5(2)12-6-3-7(9)10-11-8(4)6/h3H,1-2H3
InChIKeyUOTBCAICDAEAES-UHFFFAOYSA-N
XLogP2.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6,7-dimethylthieno[3,2-c]pyridazine?
The IUPAC name of 3-chloro-6,7-dimethylthieno[3,2-c]pyridazine (CID 157153766) is 3-chloro-6,7-dimethylthieno[3,2-c]pyridazine.
What is the SMILES notation for 3-chloro-6,7-dimethylthieno[3,2-c]pyridazine?
The canonical SMILES for 3-chloro-6,7-dimethylthieno[3,2-c]pyridazine is Cc1sc2cc(Cl)nnc2c1C.
What is the InChIKey of 3-chloro-6,7-dimethylthieno[3,2-c]pyridazine?
The InChIKey is UOTBCAICDAEAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-4-5(2)12-6-3-7(9)10-11-8(4)6/h3H,1-2H3.
What are the key properties of 3-chloro-6,7-dimethylthieno[3,2-c]pyridazine?
3-chloro-6,7-dimethylthieno[3,2-c]pyridazine has a molecular weight of 198.68 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6,7-dimethylthieno[3,2-c]pyridazine is sourced from PubChem (CID 157153766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).