3-chloro-6-(4-ethylsulfanylphenyl)pyridazine

C12H11ClN2S — CID 87286248

IUPAC3-chloro-6-(4-ethylsulfanylphenyl)pyridazine
SMILESCCSc1ccc(-c2ccc(Cl)nn2)cc1
InChIInChI=1S/C12H11ClN2S/c1-2-16-10-5-3-9(4-6-10)11-7-8-12(13)15-14-11/h3-8H,2H2,1H3
InChIKeyABAFRMGOGJXNIK-UHFFFAOYSA-N
MW250.75 g/mol
LogP3.91
Rot. Bonds3

About 3-chloro-6-(4-ethylsulfanylphenyl)pyridazine

3-chloro-6-(4-ethylsulfanylphenyl)pyridazine (PubChem CID 87286248) has the molecular formula C12H11ClN2S and a molecular weight of 250.75 g/mol. Its IUPAC name is 3-chloro-6-(4-ethylsulfanylphenyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(4-ethylsulfanylphenyl)pyridazine
PubChem CID87286248
Molecular FormulaC12H11ClN2S
Molecular Weight250.75 g/mol
Exact Mass250.03
IUPAC Name3-chloro-6-(4-ethylsulfanylphenyl)pyridazine
SMILESCCSc1ccc(-c2ccc(Cl)nn2)cc1
InChIInChI=1S/C12H11ClN2S/c1-2-16-10-5-3-9(4-6-10)11-7-8-12(13)15-14-11/h3-8H,2H2,1H3
InChIKeyABAFRMGOGJXNIK-UHFFFAOYSA-N
XLogP3.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-6-(4-ethylsulfanylphenyl)pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-ethylsulfanylphenyl)pyridazine?
The IUPAC name of 3-chloro-6-(4-ethylsulfanylphenyl)pyridazine (CID 87286248) is 3-chloro-6-(4-ethylsulfanylphenyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(4-ethylsulfanylphenyl)pyridazine?
The canonical SMILES for 3-chloro-6-(4-ethylsulfanylphenyl)pyridazine is CCSc1ccc(-c2ccc(Cl)nn2)cc1.
What is the InChIKey of 3-chloro-6-(4-ethylsulfanylphenyl)pyridazine?
The InChIKey is ABAFRMGOGJXNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2S/c1-2-16-10-5-3-9(4-6-10)11-7-8-12(13)15-14-11/h3-8H,2H2,1H3.
What are the key properties of 3-chloro-6-(4-ethylsulfanylphenyl)pyridazine?
3-chloro-6-(4-ethylsulfanylphenyl)pyridazine has a molecular weight of 250.75 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-ethylsulfanylphenyl)pyridazine is sourced from PubChem (CID 87286248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).