3-chloro-6-(2-chloroethylsulfanyl)pyridazine

C6H6Cl2N2S — CID 43446291

IUPAC3-chloro-6-(2-chloroethylsulfanyl)pyridazine
SMILESClCCSc1ccc(Cl)nn1
InChIInChI=1S/C6H6Cl2N2S/c7-3-4-11-6-2-1-5(8)9-10-6/h1-2H,3-4H2
InChIKeyAERNEDBNXNBECC-UHFFFAOYSA-N
MW209.10 g/mol
LogP2.46
Rot. Bonds3

About 3-chloro-6-(2-chloroethylsulfanyl)pyridazine

3-chloro-6-(2-chloroethylsulfanyl)pyridazine (PubChem CID 43446291) has the molecular formula C6H6Cl2N2S and a molecular weight of 209.10 g/mol. Its IUPAC name is 3-chloro-6-(2-chloroethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(2-chloroethylsulfanyl)pyridazine
PubChem CID43446291
Molecular FormulaC6H6Cl2N2S
Molecular Weight209.10 g/mol
Exact Mass207.96
IUPAC Name3-chloro-6-(2-chloroethylsulfanyl)pyridazine
SMILESClCCSc1ccc(Cl)nn1
InChIInChI=1S/C6H6Cl2N2S/c7-3-4-11-6-2-1-5(8)9-10-6/h1-2H,3-4H2
InChIKeyAERNEDBNXNBECC-UHFFFAOYSA-N
XLogP2.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-6-(2-chloroethylsulfanyl)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-(2-chloroethylsulfanyl)pyridazine?
The IUPAC name of 3-chloro-6-(2-chloroethylsulfanyl)pyridazine (CID 43446291) is 3-chloro-6-(2-chloroethylsulfanyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(2-chloroethylsulfanyl)pyridazine?
The canonical SMILES for 3-chloro-6-(2-chloroethylsulfanyl)pyridazine is ClCCSc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-(2-chloroethylsulfanyl)pyridazine?
The InChIKey is AERNEDBNXNBECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2S/c7-3-4-11-6-2-1-5(8)9-10-6/h1-2H,3-4H2.
What are the key properties of 3-chloro-6-(2-chloroethylsulfanyl)pyridazine?
3-chloro-6-(2-chloroethylsulfanyl)pyridazine has a molecular weight of 209.10 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-chloroethylsulfanyl)pyridazine is sourced from PubChem (CID 43446291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).