3-(4-methylthiophen-2-yl)-6-phenylsulfanyl-4-(4-phenylthiophen-2-yl)pyridazine

C25H18N2S3 — CID 18760026

IUPAC3-(4-methylthiophen-2-yl)-6-phenylsulfanyl-4-(4-phenylthiophen-2-yl)pyridazine
SMILESCc1csc(-c2nnc(Sc3ccccc3)cc2-c2cc(-c3ccccc3)cs2)c1
InChIInChI=1S/C25H18N2S3/c1-17-12-23(28-15-17)25-21(14-24(26-27-25)30-20-10-6-3-7-11-20)22-13-19(16-29-22)18-8-4-2-5-9-18/h2-16H,1H3
InChIKeyHIWPLVXNXQQEIQ-UHFFFAOYSA-N
MW442.63 g/mol
LogP8.06
Rot. Bonds5

About 3-(4-methylthiophen-2-yl)-6-phenylsulfanyl-4-(4-phenylthiophen-2-yl)pyridazine

3-(4-methylthiophen-2-yl)-6-phenylsulfanyl-4-(4-phenylthiophen-2-yl)pyridazine (PubChem CID 18760026) has the molecular formula C25H18N2S3 and a molecular weight of 442.63 g/mol. Its IUPAC name is 3-(4-methylthiophen-2-yl)-6-phenylsulfanyl-4-(4-phenylthiophen-2-yl)pyridazine.

Molecular Properties

Compound Name3-(4-methylthiophen-2-yl)-6-phenylsulfanyl-4-(4-phenylthiophen-2-yl)pyridazine
PubChem CID18760026
Molecular FormulaC25H18N2S3
Molecular Weight442.63 g/mol
Exact Mass442.06
IUPAC Name3-(4-methylthiophen-2-yl)-6-phenylsulfanyl-4-(4-phenylthiophen-2-yl)pyridazine
SMILESCc1csc(-c2nnc(Sc3ccccc3)cc2-c2cc(-c3ccccc3)cs2)c1
InChIInChI=1S/C25H18N2S3/c1-17-12-23(28-15-17)25-21(14-24(26-27-25)30-20-10-6-3-7-11-20)22-13-19(16-29-22)18-8-4-2-5-9-18/h2-16H,1H3
InChIKeyHIWPLVXNXQQEIQ-UHFFFAOYSA-N
XLogP8.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.63
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-methylthiophen-2-yl)-6-phenylsulfanyl-4-(4-phenylthiophen-2-yl)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-(4-methylthiophen-2-yl)-6-phenylsulfanyl-4-(4-phenylthiophen-2-yl)pyridazine?
The IUPAC name of 3-(4-methylthiophen-2-yl)-6-phenylsulfanyl-4-(4-phenylthiophen-2-yl)pyridazine (CID 18760026) is 3-(4-methylthiophen-2-yl)-6-phenylsulfanyl-4-(4-phenylthiophen-2-yl)pyridazine.
What is the SMILES notation for 3-(4-methylthiophen-2-yl)-6-phenylsulfanyl-4-(4-phenylthiophen-2-yl)pyridazine?
The canonical SMILES for 3-(4-methylthiophen-2-yl)-6-phenylsulfanyl-4-(4-phenylthiophen-2-yl)pyridazine is Cc1csc(-c2nnc(Sc3ccccc3)cc2-c2cc(-c3ccccc3)cs2)c1.
What is the InChIKey of 3-(4-methylthiophen-2-yl)-6-phenylsulfanyl-4-(4-phenylthiophen-2-yl)pyridazine?
The InChIKey is HIWPLVXNXQQEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2S3/c1-17-12-23(28-15-17)25-21(14-24(26-27-25)30-20-10-6-3-7-11-20)22-13-19(16-29-22)18-8-4-2-5-9-18/h2-16H,1H3.
What are the key properties of 3-(4-methylthiophen-2-yl)-6-phenylsulfanyl-4-(4-phenylthiophen-2-yl)pyridazine?
3-(4-methylthiophen-2-yl)-6-phenylsulfanyl-4-(4-phenylthiophen-2-yl)pyridazine has a molecular weight of 442.63 g/mol, XLogP of 8.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylthiophen-2-yl)-6-phenylsulfanyl-4-(4-phenylthiophen-2-yl)pyridazine is sourced from PubChem (CID 18760026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).