3-[(3-bromophenyl)methylsulfanyl]pyridazine

C11H9BrN2S — CID 122134389

IUPAC3-[(3-bromophenyl)methylsulfanyl]pyridazine
SMILESBrc1cccc(CSc2cccnn2)c1
InChIInChI=1S/C11H9BrN2S/c12-10-4-1-3-9(7-10)8-15-11-5-2-6-13-14-11/h1-7H,8H2
InChIKeyJTKGIWFQJIUQST-UHFFFAOYSA-N
MW281.18 g/mol
LogP3.53
Rot. Bonds3

About 3-[(3-bromophenyl)methylsulfanyl]pyridazine

3-[(3-bromophenyl)methylsulfanyl]pyridazine (PubChem CID 122134389) has the molecular formula C11H9BrN2S and a molecular weight of 281.18 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methylsulfanyl]pyridazine.

Molecular Properties

Compound Name3-[(3-bromophenyl)methylsulfanyl]pyridazine
PubChem CID122134389
Molecular FormulaC11H9BrN2S
Molecular Weight281.18 g/mol
Exact Mass279.97
IUPAC Name3-[(3-bromophenyl)methylsulfanyl]pyridazine
SMILESBrc1cccc(CSc2cccnn2)c1
InChIInChI=1S/C11H9BrN2S/c12-10-4-1-3-9(7-10)8-15-11-5-2-6-13-14-11/h1-7H,8H2
InChIKeyJTKGIWFQJIUQST-UHFFFAOYSA-N
XLogP3.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(3-bromophenyl)methylsulfanyl]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-[(3-bromophenyl)methylsulfanyl]pyridazine?
The IUPAC name of 3-[(3-bromophenyl)methylsulfanyl]pyridazine (CID 122134389) is 3-[(3-bromophenyl)methylsulfanyl]pyridazine.
What is the SMILES notation for 3-[(3-bromophenyl)methylsulfanyl]pyridazine?
The canonical SMILES for 3-[(3-bromophenyl)methylsulfanyl]pyridazine is Brc1cccc(CSc2cccnn2)c1.
What is the InChIKey of 3-[(3-bromophenyl)methylsulfanyl]pyridazine?
The InChIKey is JTKGIWFQJIUQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2S/c12-10-4-1-3-9(7-10)8-15-11-5-2-6-13-14-11/h1-7H,8H2.
What are the key properties of 3-[(3-bromophenyl)methylsulfanyl]pyridazine?
3-[(3-bromophenyl)methylsulfanyl]pyridazine has a molecular weight of 281.18 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methylsulfanyl]pyridazine is sourced from PubChem (CID 122134389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).