6-chloro-3-(4-methylsulfanylphenyl)-4-phenylpyridazine

C17H13ClN2S — CID 18759998

IUPAC6-chloro-3-(4-methylsulfanylphenyl)-4-phenylpyridazine
SMILESCSc1ccc(-c2nnc(Cl)cc2-c2ccccc2)cc1
InChIInChI=1S/C17H13ClN2S/c1-21-14-9-7-13(8-10-14)17-15(11-16(18)19-20-17)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyQLXTURNLRLNSJE-UHFFFAOYSA-N
MW312.83 g/mol
LogP5.19
Rot. Bonds3

About 6-chloro-3-(4-methylsulfanylphenyl)-4-phenylpyridazine

6-chloro-3-(4-methylsulfanylphenyl)-4-phenylpyridazine (PubChem CID 18759998) has the molecular formula C17H13ClN2S and a molecular weight of 312.83 g/mol. Its IUPAC name is 6-chloro-3-(4-methylsulfanylphenyl)-4-phenylpyridazine.

Molecular Properties

Compound Name6-chloro-3-(4-methylsulfanylphenyl)-4-phenylpyridazine
PubChem CID18759998
Molecular FormulaC17H13ClN2S
Molecular Weight312.83 g/mol
Exact Mass312.05
IUPAC Name6-chloro-3-(4-methylsulfanylphenyl)-4-phenylpyridazine
SMILESCSc1ccc(-c2nnc(Cl)cc2-c2ccccc2)cc1
InChIInChI=1S/C17H13ClN2S/c1-21-14-9-7-13(8-10-14)17-15(11-16(18)19-20-17)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyQLXTURNLRLNSJE-UHFFFAOYSA-N
XLogP5.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.83
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-3-(4-methylsulfanylphenyl)-4-phenylpyridazine 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 6-chloro-3-(4-methylsulfanylphenyl)-4-phenylpyridazine?
The IUPAC name of 6-chloro-3-(4-methylsulfanylphenyl)-4-phenylpyridazine (CID 18759998) is 6-chloro-3-(4-methylsulfanylphenyl)-4-phenylpyridazine.
What is the SMILES notation for 6-chloro-3-(4-methylsulfanylphenyl)-4-phenylpyridazine?
The canonical SMILES for 6-chloro-3-(4-methylsulfanylphenyl)-4-phenylpyridazine is CSc1ccc(-c2nnc(Cl)cc2-c2ccccc2)cc1.
What is the InChIKey of 6-chloro-3-(4-methylsulfanylphenyl)-4-phenylpyridazine?
The InChIKey is QLXTURNLRLNSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2S/c1-21-14-9-7-13(8-10-14)17-15(11-16(18)19-20-17)12-5-3-2-4-6-12/h2-11H,1H3.
What are the key properties of 6-chloro-3-(4-methylsulfanylphenyl)-4-phenylpyridazine?
6-chloro-3-(4-methylsulfanylphenyl)-4-phenylpyridazine has a molecular weight of 312.83 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-methylsulfanylphenyl)-4-phenylpyridazine is sourced from PubChem (CID 18759998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).