3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine

C11H8Cl2N2S — CID 45030918

IUPAC3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine
SMILESClc1ccc(CSc2ccc(Cl)nn2)cc1
InChIInChI=1S/C11H8Cl2N2S/c12-9-3-1-8(2-4-9)7-16-11-6-5-10(13)14-15-11/h1-6H,7H2
InChIKeyWFIDMJVSBXDLQM-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.08
Rot. Bonds3

About 3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine

3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine (PubChem CID 45030918) has the molecular formula C11H8Cl2N2S and a molecular weight of 271.17 g/mol. Its IUPAC name is 3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine
PubChem CID45030918
Molecular FormulaC11H8Cl2N2S
Molecular Weight271.17 g/mol
Exact Mass269.98
IUPAC Name3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine
SMILESClc1ccc(CSc2ccc(Cl)nn2)cc1
InChIInChI=1S/C11H8Cl2N2S/c12-9-3-1-8(2-4-9)7-16-11-6-5-10(13)14-15-11/h1-6H,7H2
InChIKeyWFIDMJVSBXDLQM-UHFFFAOYSA-N
XLogP4.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine?
The IUPAC name of 3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine (CID 45030918) is 3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine is Clc1ccc(CSc2ccc(Cl)nn2)cc1.
What is the InChIKey of 3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine?
The InChIKey is WFIDMJVSBXDLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2S/c12-9-3-1-8(2-4-9)7-16-11-6-5-10(13)14-15-11/h1-6H,7H2.
What are the key properties of 3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine?
3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine has a molecular weight of 271.17 g/mol, XLogP of 4.08, 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-chlorophenyl)methylsulfanyl]pyridazine is sourced from PubChem (CID 45030918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).