6-nonylsulfinyl-3,4-diphenylpyridazine

C25H30N2OS — CID 11036933

IUPAC6-nonylsulfinyl-3,4-diphenylpyridazine
SMILESCCCCCCCCCS(=O)c1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C25H30N2OS/c1-2-3-4-5-6-7-14-19-29(28)24-20-23(21-15-10-8-11-16-21)25(27-26-24)22-17-12-9-13-18-22/h8-13,15-18,20H,2-7,14,19H2,1H3
InChIKeyWOCSKTREXCZPDR-UHFFFAOYSA-N
MW406.60 g/mol
LogP6.67
Rot. Bonds11

About 6-nonylsulfinyl-3,4-diphenylpyridazine

6-nonylsulfinyl-3,4-diphenylpyridazine (PubChem CID 11036933) has the molecular formula C25H30N2OS and a molecular weight of 406.60 g/mol. Its IUPAC name is 6-nonylsulfinyl-3,4-diphenylpyridazine.

Molecular Properties

Compound Name6-nonylsulfinyl-3,4-diphenylpyridazine
PubChem CID11036933
Molecular FormulaC25H30N2OS
Molecular Weight406.60 g/mol
Exact Mass406.21
IUPAC Name6-nonylsulfinyl-3,4-diphenylpyridazine
SMILESCCCCCCCCCS(=O)c1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C25H30N2OS/c1-2-3-4-5-6-7-14-19-29(28)24-20-23(21-15-10-8-11-16-21)25(27-26-24)22-17-12-9-13-18-22/h8-13,15-18,20H,2-7,14,19H2,1H3
InChIKeyWOCSKTREXCZPDR-UHFFFAOYSA-N
XLogP6.67
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.60
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-nonylsulfinyl-3,4-diphenylpyridazine?
The IUPAC name of 6-nonylsulfinyl-3,4-diphenylpyridazine (CID 11036933) is 6-nonylsulfinyl-3,4-diphenylpyridazine.
What is the SMILES notation for 6-nonylsulfinyl-3,4-diphenylpyridazine?
The canonical SMILES for 6-nonylsulfinyl-3,4-diphenylpyridazine is CCCCCCCCCS(=O)c1cc(-c2ccccc2)c(-c2ccccc2)nn1.
What is the InChIKey of 6-nonylsulfinyl-3,4-diphenylpyridazine?
The InChIKey is WOCSKTREXCZPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2OS/c1-2-3-4-5-6-7-14-19-29(28)24-20-23(21-15-10-8-11-16-21)25(27-26-24)22-17-12-9-13-18-22/h8-13,15-18,20H,2-7,14,19H2,1H3.
What are the key properties of 6-nonylsulfinyl-3,4-diphenylpyridazine?
6-nonylsulfinyl-3,4-diphenylpyridazine has a molecular weight of 406.60 g/mol, XLogP of 6.67, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nonylsulfinyl-3,4-diphenylpyridazine is sourced from PubChem (CID 11036933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).