4-methoxybenzenediazonium;1-methyl-4-oxidoperoxysulfanylbenzene

C14H14N2O4S — CID 91358781

IUPAC4-methoxybenzenediazonium;1-methyl-4-oxidoperoxysulfanylbenzene
SMILESCOc1ccc([N+]#N)cc1.Cc1ccc(SOO[O-])cc1
InChIInChI=1S/C7H7N2O.C7H8O3S/c1-10-7-4-2-6(9-8)3-5-7;1-6-2-4-7(5-3-6)11-10-9-8/h2-5H,1H3;2-5,8H,1H3/q+1;/p-1
InChIKeyHEHUIEBWCYXUAD-UHFFFAOYSA-M
MW306.34 g/mol
LogP3.41
Rot. Bonds4

About 4-methoxybenzenediazonium;1-methyl-4-oxidoperoxysulfanylbenzene

4-methoxybenzenediazonium;1-methyl-4-oxidoperoxysulfanylbenzene (PubChem CID 91358781) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-methoxybenzenediazonium;1-methyl-4-oxidoperoxysulfanylbenzene.

Molecular Properties

Compound Name4-methoxybenzenediazonium;1-methyl-4-oxidoperoxysulfanylbenzene
PubChem CID91358781
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name4-methoxybenzenediazonium;1-methyl-4-oxidoperoxysulfanylbenzene
SMILESCOc1ccc([N+]#N)cc1.Cc1ccc(SOO[O-])cc1
InChIInChI=1S/C7H7N2O.C7H8O3S/c1-10-7-4-2-6(9-8)3-5-7;1-6-2-4-7(5-3-6)11-10-9-8/h2-5H,1H3;2-5,8H,1H3/q+1;/p-1
InChIKeyHEHUIEBWCYXUAD-UHFFFAOYSA-M
XLogP3.41
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 4-methoxybenzenediazonium;1-methyl-4-oxidoperoxysulfanylbenzene 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 4-methoxybenzenediazonium;1-methyl-4-oxidoperoxysulfanylbenzene?
The IUPAC name of 4-methoxybenzenediazonium;1-methyl-4-oxidoperoxysulfanylbenzene (CID 91358781) is 4-methoxybenzenediazonium;1-methyl-4-oxidoperoxysulfanylbenzene.
What is the SMILES notation for 4-methoxybenzenediazonium;1-methyl-4-oxidoperoxysulfanylbenzene?
The canonical SMILES for 4-methoxybenzenediazonium;1-methyl-4-oxidoperoxysulfanylbenzene is COc1ccc([N+]#N)cc1.Cc1ccc(SOO[O-])cc1.
What is the InChIKey of 4-methoxybenzenediazonium;1-methyl-4-oxidoperoxysulfanylbenzene?
The InChIKey is HEHUIEBWCYXUAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7N2O.C7H8O3S/c1-10-7-4-2-6(9-8)3-5-7;1-6-2-4-7(5-3-6)11-10-9-8/h2-5H,1H3;2-5,8H,1H3/q+1;/p-1.
What are the key properties of 4-methoxybenzenediazonium;1-methyl-4-oxidoperoxysulfanylbenzene?
4-methoxybenzenediazonium;1-methyl-4-oxidoperoxysulfanylbenzene has a molecular weight of 306.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybenzenediazonium;1-methyl-4-oxidoperoxysulfanylbenzene is sourced from PubChem (CID 91358781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).