3-methylsulfanyl-6-methylsulfinyl-4-phenylpyridazine

C12H12N2OS2 — CID 11651859

IUPAC3-methylsulfanyl-6-methylsulfinyl-4-phenylpyridazine
SMILESCSc1nnc(S(C)=O)cc1-c1ccccc1
InChIInChI=1S/C12H12N2OS2/c1-16-12-10(9-6-4-3-5-7-9)8-11(13-14-12)17(2)15/h3-8H,1-2H3
InChIKeyPKNSQUXTPVPZSJ-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.60
Rot. Bonds3

About 3-methylsulfanyl-6-methylsulfinyl-4-phenylpyridazine

3-methylsulfanyl-6-methylsulfinyl-4-phenylpyridazine (PubChem CID 11651859) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 3-methylsulfanyl-6-methylsulfinyl-4-phenylpyridazine.

Molecular Properties

Compound Name3-methylsulfanyl-6-methylsulfinyl-4-phenylpyridazine
PubChem CID11651859
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name3-methylsulfanyl-6-methylsulfinyl-4-phenylpyridazine
SMILESCSc1nnc(S(C)=O)cc1-c1ccccc1
InChIInChI=1S/C12H12N2OS2/c1-16-12-10(9-6-4-3-5-7-9)8-11(13-14-12)17(2)15/h3-8H,1-2H3
InChIKeyPKNSQUXTPVPZSJ-UHFFFAOYSA-N
XLogP2.60
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methylsulfanyl-6-methylsulfinyl-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 3-methylsulfanyl-6-methylsulfinyl-4-phenylpyridazine?
The IUPAC name of 3-methylsulfanyl-6-methylsulfinyl-4-phenylpyridazine (CID 11651859) is 3-methylsulfanyl-6-methylsulfinyl-4-phenylpyridazine.
What is the SMILES notation for 3-methylsulfanyl-6-methylsulfinyl-4-phenylpyridazine?
The canonical SMILES for 3-methylsulfanyl-6-methylsulfinyl-4-phenylpyridazine is CSc1nnc(S(C)=O)cc1-c1ccccc1.
What is the InChIKey of 3-methylsulfanyl-6-methylsulfinyl-4-phenylpyridazine?
The InChIKey is PKNSQUXTPVPZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-16-12-10(9-6-4-3-5-7-9)8-11(13-14-12)17(2)15/h3-8H,1-2H3.
What are the key properties of 3-methylsulfanyl-6-methylsulfinyl-4-phenylpyridazine?
3-methylsulfanyl-6-methylsulfinyl-4-phenylpyridazine has a molecular weight of 264.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-6-methylsulfinyl-4-phenylpyridazine is sourced from PubChem (CID 11651859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).