[(diphenylmethyl)sulfanyl]methanimidamide hydrobromide

• ChemBase ID: 54377
• Molecular Formular: C14H15BrN2S
• Molecular Mass: 323.2513
• Monoisotopic Mass: 322.01393149
• SMILES: C(=N)(SC(c1ccccc1)c1ccccc1)N.Br
• Canonical SMILES: NC(=N)SC(c1ccccc1)c1ccccc1.Br
• InChI: InChI=1S/C14H14N2S.BrH/c15-14(16)17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H,(H3,15,16);1H
• InChIKey: OACCNOFVFDJYEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(diphenylmethyl)sulfanyl]methanimidamide hydrobromide
• IUPAC Traditional name: (diphenylmethyl)sulfanylmethanimidamide hydrobromide
• Synonyms: [(Diphenylmethyl)sulfanyl]methanimidamide hydrobromide

Database IDs

• CAS Number: 90280-15-2
• MDL Number: MFCD00137024
• PubChem SID: 162059140
• PubChem CID: 458387

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3004327
• LogD (pH = 7.4): 1.3901485
• Log P: 3.714618
• Molar Refractivity: 83.9731 cm^3
• Polarizability: 28.589651 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178 - 180 °C; 178-180°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%