3-chloro-6-(4-chlorobutan-2-ylsulfanyl)pyridazine

C8H10Cl2N2S — CID 66139217

IUPAC3-chloro-6-(4-chlorobutan-2-ylsulfanyl)pyridazine
SMILESCC(CCCl)Sc1ccc(Cl)nn1
InChIInChI=1S/C8H10Cl2N2S/c1-6(4-5-9)13-8-3-2-7(10)11-12-8/h2-3,6H,4-5H2,1H3
InChIKeyUVWWUSNVAUTIPS-UHFFFAOYSA-N
MW237.16 g/mol
LogP3.24
Rot. Bonds4

About 3-chloro-6-(4-chlorobutan-2-ylsulfanyl)pyridazine

3-chloro-6-(4-chlorobutan-2-ylsulfanyl)pyridazine (PubChem CID 66139217) has the molecular formula C8H10Cl2N2S and a molecular weight of 237.16 g/mol. Its IUPAC name is 3-chloro-6-(4-chlorobutan-2-ylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(4-chlorobutan-2-ylsulfanyl)pyridazine
PubChem CID66139217
Molecular FormulaC8H10Cl2N2S
Molecular Weight237.16 g/mol
Exact Mass235.99
IUPAC Name3-chloro-6-(4-chlorobutan-2-ylsulfanyl)pyridazine
SMILESCC(CCCl)Sc1ccc(Cl)nn1
InChIInChI=1S/C8H10Cl2N2S/c1-6(4-5-9)13-8-3-2-7(10)11-12-8/h2-3,6H,4-5H2,1H3
InChIKeyUVWWUSNVAUTIPS-UHFFFAOYSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.16
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-chlorobutan-2-ylsulfanyl)pyridazine?
The IUPAC name of 3-chloro-6-(4-chlorobutan-2-ylsulfanyl)pyridazine (CID 66139217) is 3-chloro-6-(4-chlorobutan-2-ylsulfanyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(4-chlorobutan-2-ylsulfanyl)pyridazine?
The canonical SMILES for 3-chloro-6-(4-chlorobutan-2-ylsulfanyl)pyridazine is CC(CCCl)Sc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-(4-chlorobutan-2-ylsulfanyl)pyridazine?
The InChIKey is UVWWUSNVAUTIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2S/c1-6(4-5-9)13-8-3-2-7(10)11-12-8/h2-3,6H,4-5H2,1H3.
What are the key properties of 3-chloro-6-(4-chlorobutan-2-ylsulfanyl)pyridazine?
3-chloro-6-(4-chlorobutan-2-ylsulfanyl)pyridazine has a molecular weight of 237.16 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-chlorobutan-2-ylsulfanyl)pyridazine is sourced from PubChem (CID 66139217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).