6-chloro-3,5-dimethylthieno[2,3-c]pyridazine

C8H7ClN2S — CID 170581705

IUPAC6-chloro-3,5-dimethylthieno[2,3-c]pyridazine
SMILESCc1cc2c(C)c(Cl)sc2nn1
InChIInChI=1S/C8H7ClN2S/c1-4-3-6-5(2)7(9)12-8(6)11-10-4/h3H,1-2H3
InChIKeyJLQBYCSPTMTENF-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.96
Rot. Bonds

About 6-chloro-3,5-dimethylthieno[2,3-c]pyridazine

6-chloro-3,5-dimethylthieno[2,3-c]pyridazine (PubChem CID 170581705) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 6-chloro-3,5-dimethylthieno[2,3-c]pyridazine.

Molecular Properties

Compound Name6-chloro-3,5-dimethylthieno[2,3-c]pyridazine
PubChem CID170581705
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name6-chloro-3,5-dimethylthieno[2,3-c]pyridazine
SMILESCc1cc2c(C)c(Cl)sc2nn1
InChIInChI=1S/C8H7ClN2S/c1-4-3-6-5(2)7(9)12-8(6)11-10-4/h3H,1-2H3
InChIKeyJLQBYCSPTMTENF-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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Related Compounds

3-Chloro-6-(3-thienyl)pyridazine
CID 13573481
6-Chloro-3-phenyl-4-thiophen-2-ylpyridazine
CID 11300257
3-Chloro-4-methyl-6-(2-thienyl)pyridazine
CID 13258487
3-Chloro-4-methyl-6-thiophen-3-ylpyridazine
CID 13374839
3-Chloro-[1]benzothiolo[3,2-c]pyridazine
CID 14458442
3-Chloro-6-thien-3-yl-pyridazine hydrochloric acid salt
CID 17984766
3-Chloro-4-propyl-6-thiophen-2-ylpyridazine
CID 19104952
1,4-Dimethylthieno[3,4-d]pyridazine
CID 22892588
7-Chloro-4-phenylthieno[3,2-d]pyridazine
CID 57756255
3-Methylthieno[2,3-c]pyridazine
CID 58957247
3-(Benzo[b]thiophen-2-yl)-6-chloropyridazine
CID 86710555
4-Chloro-2-(4-chlorophenyl)-7-methylthieno[2,3-d]pyridazine
CID 89016982

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,5-dimethylthieno[2,3-c]pyridazine?
The IUPAC name of 6-chloro-3,5-dimethylthieno[2,3-c]pyridazine (CID 170581705) is 6-chloro-3,5-dimethylthieno[2,3-c]pyridazine.
What is the SMILES notation for 6-chloro-3,5-dimethylthieno[2,3-c]pyridazine?
The canonical SMILES for 6-chloro-3,5-dimethylthieno[2,3-c]pyridazine is Cc1cc2c(C)c(Cl)sc2nn1.
What is the InChIKey of 6-chloro-3,5-dimethylthieno[2,3-c]pyridazine?
The InChIKey is JLQBYCSPTMTENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-4-3-6-5(2)7(9)12-8(6)11-10-4/h3H,1-2H3.
What are the key properties of 6-chloro-3,5-dimethylthieno[2,3-c]pyridazine?
6-chloro-3,5-dimethylthieno[2,3-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 6-chloro-3,5-dimethylthieno[2,3-c]pyridazine is sourced from PubChem (CID 170581705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).