λ1-thallanylium 2λ6-triaza-1,2-diyne

• ChemBase ID: 129826
• Molecular Formular: N3Tl
• Molecular Mass: 246.4034
• Monoisotopic Mass: 246.98364902
• SMILES: [Tl+].[N-]=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=[N-].[Tl+]
• InChI: InChI=1S/N3.Tl/c1-3-2;/q-1;+1
• InChIKey: GMUSFHMEMWCQIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-thallanylium 2λ^6-triaza-1,2-diyne
• IUPAC Traditional name: λ^1-thallanylium azide
• Synonyms: thallium azide; Thallium azide

Database IDs

• PubChem SID: 162224113
• PubChem CID: 22764821
• Chemspider ID: 15368504
• Wikipedia Title: Thallium_azide

CALCULATED PROPERTIES

• Acid pKa: 5.091568
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.11483899
• LogD (pH = 7.4): -0.14936252
• Log P: 0.07809129
• Molar Refractivity: 7.6 cm^3
• Polarizability: 2.852743 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: insoluble in water
• Apperance: yellow-brown