2-methyl-5-(methylaminoperoxysulfanyl)benzenediazonium

C8H10N3O2S+ — CID 59112490

IUPAC2-methyl-5-(methylaminoperoxysulfanyl)benzenediazonium
SMILESCNOOSc1ccc(C)c([N+]#N)c1
InChIInChI=1S/C8H10N3O2S/c1-6-3-4-7(5-8(6)11-9)14-13-12-10-2/h3-5,10H,1-2H3/q+1
InChIKeyFQGCHNUNKBKMOF-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.57
Rot. Bonds4

About 2-methyl-5-(methylaminoperoxysulfanyl)benzenediazonium

2-methyl-5-(methylaminoperoxysulfanyl)benzenediazonium (PubChem CID 59112490) has the molecular formula C8H10N3O2S+ and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-methyl-5-(methylaminoperoxysulfanyl)benzenediazonium.

Molecular Properties

Compound Name2-methyl-5-(methylaminoperoxysulfanyl)benzenediazonium
PubChem CID59112490
Molecular FormulaC8H10N3O2S+
Molecular Weight212.25 g/mol
Exact Mass212.05
IUPAC Name2-methyl-5-(methylaminoperoxysulfanyl)benzenediazonium
SMILESCNOOSc1ccc(C)c([N+]#N)c1
InChIInChI=1S/C8H10N3O2S/c1-6-3-4-7(5-8(6)11-9)14-13-12-10-2/h3-5,10H,1-2H3/q+1
InChIKeyFQGCHNUNKBKMOF-UHFFFAOYSA-N
XLogP2.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylaminoperoxysulfanyl)benzenediazonium?
The IUPAC name of 2-methyl-5-(methylaminoperoxysulfanyl)benzenediazonium (CID 59112490) is 2-methyl-5-(methylaminoperoxysulfanyl)benzenediazonium.
What is the SMILES notation for 2-methyl-5-(methylaminoperoxysulfanyl)benzenediazonium?
The canonical SMILES for 2-methyl-5-(methylaminoperoxysulfanyl)benzenediazonium is CNOOSc1ccc(C)c([N+]#N)c1.
What is the InChIKey of 2-methyl-5-(methylaminoperoxysulfanyl)benzenediazonium?
The InChIKey is FQGCHNUNKBKMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N3O2S/c1-6-3-4-7(5-8(6)11-9)14-13-12-10-2/h3-5,10H,1-2H3/q+1.
What are the key properties of 2-methyl-5-(methylaminoperoxysulfanyl)benzenediazonium?
2-methyl-5-(methylaminoperoxysulfanyl)benzenediazonium has a molecular weight of 212.25 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylaminoperoxysulfanyl)benzenediazonium is sourced from PubChem (CID 59112490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).