[2-(bromosulfanyl)phenyl](phenyl)diazene

• ChemBase ID: 102255
• Molecular Formular: C12H9BrN2S
• Molecular Mass: 293.18226
• Monoisotopic Mass: 291.9669813
• SMILES: BrSc1c(cccc1)/N=N/c1ccccc1
• Canonical SMILES: BrSc1ccccc1/N=N/c1ccccc1
• InChI: InChI=1S/C12H9BrN2S/c13-16-12-9-5-4-8-11(12)15-14-10-6-2-1-3-7-10/h1-9H
• InChIKey: OGLDNEGRIQZFIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(bromosulfanyl)phenyl](phenyl)diazene
• IUPAC Traditional name: [2-(bromosulfanyl)phenyl](phenyl)diazene
• Synonyms: AZOBENZENE-2-SULFENYL BROMIDE

Database IDs

• CAS Number: 2849-62-9
• EC Number: 220-654-2
• PubChem SID: 162088061
• PubChem CID: 76100

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.3846135
• LogD (pH = 7.4): 5.384614
• Log P: 5.384614
• Molar Refractivity: 74.2843 cm^3
• Polarizability: 27.283138 Å^3
• Polar Surface Area: 24.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

DETAILS

MP Biomedicals - 02100856

A selective reagent for cysteinyl residues.