6-octylsulfanyl-3,4-diphenylpyridazine

C24H28N2S — CID 10959770

IUPAC6-octylsulfanyl-3,4-diphenylpyridazine
SMILESCCCCCCCCSc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C24H28N2S/c1-2-3-4-5-6-13-18-27-23-19-22(20-14-9-7-10-15-20)24(26-25-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3
InChIKeyDYBXAIBBLBDXRC-UHFFFAOYSA-N
MW376.57 g/mol
LogP7.26
Rot. Bonds10

About 6-octylsulfanyl-3,4-diphenylpyridazine

6-octylsulfanyl-3,4-diphenylpyridazine (PubChem CID 10959770) has the molecular formula C24H28N2S and a molecular weight of 376.57 g/mol. Its IUPAC name is 6-octylsulfanyl-3,4-diphenylpyridazine.

Molecular Properties

Compound Name6-octylsulfanyl-3,4-diphenylpyridazine
PubChem CID10959770
Molecular FormulaC24H28N2S
Molecular Weight376.57 g/mol
Exact Mass376.20
IUPAC Name6-octylsulfanyl-3,4-diphenylpyridazine
SMILESCCCCCCCCSc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C24H28N2S/c1-2-3-4-5-6-13-18-27-23-19-22(20-14-9-7-10-15-20)24(26-25-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3
InChIKeyDYBXAIBBLBDXRC-UHFFFAOYSA-N
XLogP7.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.57
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-octylsulfanyl-3,4-diphenylpyridazine 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-octylsulfanyl-3,4-diphenylpyridazine?
The IUPAC name of 6-octylsulfanyl-3,4-diphenylpyridazine (CID 10959770) is 6-octylsulfanyl-3,4-diphenylpyridazine.
What is the SMILES notation for 6-octylsulfanyl-3,4-diphenylpyridazine?
The canonical SMILES for 6-octylsulfanyl-3,4-diphenylpyridazine is CCCCCCCCSc1cc(-c2ccccc2)c(-c2ccccc2)nn1.
What is the InChIKey of 6-octylsulfanyl-3,4-diphenylpyridazine?
The InChIKey is DYBXAIBBLBDXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2S/c1-2-3-4-5-6-13-18-27-23-19-22(20-14-9-7-10-15-20)24(26-25-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3.
What are the key properties of 6-octylsulfanyl-3,4-diphenylpyridazine?
6-octylsulfanyl-3,4-diphenylpyridazine has a molecular weight of 376.57 g/mol, XLogP of 7.26, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octylsulfanyl-3,4-diphenylpyridazine is sourced from PubChem (CID 10959770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).