6-octylsulfinyl-3,4-diphenylpyridazine

C24H28N2OS — CID 10971237

IUPAC6-octylsulfinyl-3,4-diphenylpyridazine
SMILESCCCCCCCCS(=O)c1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C24H28N2OS/c1-2-3-4-5-6-13-18-28(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
InChIKeyNVGVTYCODIVMOY-UHFFFAOYSA-N
MW392.57 g/mol
LogP6.28
Rot. Bonds10

About 6-octylsulfinyl-3,4-diphenylpyridazine

6-octylsulfinyl-3,4-diphenylpyridazine (PubChem CID 10971237) has the molecular formula C24H28N2OS and a molecular weight of 392.57 g/mol. Its IUPAC name is 6-octylsulfinyl-3,4-diphenylpyridazine.

Molecular Properties

Compound Name6-octylsulfinyl-3,4-diphenylpyridazine
PubChem CID10971237
Molecular FormulaC24H28N2OS
Molecular Weight392.57 g/mol
Exact Mass392.19
IUPAC Name6-octylsulfinyl-3,4-diphenylpyridazine
SMILESCCCCCCCCS(=O)c1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C24H28N2OS/c1-2-3-4-5-6-13-18-28(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
InChIKeyNVGVTYCODIVMOY-UHFFFAOYSA-N
XLogP6.28
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 56.28
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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Related Compounds

6-heptylsulfanyl-3,4-diphenylpyridazine
CID 11035840
N-hexyl-5,6-diphenylpyridazin-3-amine
CID 11110352
octadecylsulfinylbenzene
CID 10937741
N-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine
CID 10971868
2-hexyl-5,6-diphenylpyridazin-3-one
CID 10882161
1,1'-biphenyl;hexadecane
CID 173308514
6-methyl-3,4-diphenylpyridazine
CID 6411990
2-pentadecylsulfinylnaphthalene-1,4-dione
CID 71652242
3-methylsulfanyl-6-methylsulfinyl-4-phenylpyridazine
CID 11651859
2-butylsulfinyl-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile
CID 2193876
[(R)-[(S)-hexylsulfinyl]methylsulfinyl]benzene
CID 23251622
2-octylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 3337992

Frequently Asked Questions

What is the IUPAC name of 6-octylsulfinyl-3,4-diphenylpyridazine?
The IUPAC name of 6-octylsulfinyl-3,4-diphenylpyridazine (CID 10971237) is 6-octylsulfinyl-3,4-diphenylpyridazine.
What is the SMILES notation for 6-octylsulfinyl-3,4-diphenylpyridazine?
The canonical SMILES for 6-octylsulfinyl-3,4-diphenylpyridazine is CCCCCCCCS(=O)c1cc(-c2ccccc2)c(-c2ccccc2)nn1.
What is the InChIKey of 6-octylsulfinyl-3,4-diphenylpyridazine?
The InChIKey is NVGVTYCODIVMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2OS/c1-2-3-4-5-6-13-18-28(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-octylsulfinyl-3,4-diphenylpyridazine?
6-octylsulfinyl-3,4-diphenylpyridazine has a molecular weight of 392.57 g/mol, XLogP of 6.28, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octylsulfinyl-3,4-diphenylpyridazine is sourced from PubChem (CID 10971237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).