(E)-N'-methyl(dodecylsulfanyl)methanimidamide hydrobromide

• ChemBase ID: 265539
• Molecular Formular: C14H31BrN2S
• Molecular Mass: 339.37834
• Monoisotopic Mass: 338.139132
• SMILES: C(=N\C)(/SCCCCCCCCCCCC)\N.Br
• Canonical SMILES: CCCCCCCCCCCCS/C(=N/C)/N.Br
• InChI: InChI=1S/C14H30N2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-17-14(15)16-2;/h3-13H2,1-2H3,(H2,15,16);1H
• InChIKey: SQDWLVDRRWDBMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N'-methyl(dodecylsulfanyl)methanimidamide hydrobromide
• IUPAC Traditional name: (E)-N'-methyldodecylsulfanylmethanimidamide hydrobromide
• Synonyms: (dodecylsulfanyl)-N'-methylmethanimidamide hydrobromide

Database IDs

• MDL Number: MFCD16039997
• PubChem SID: 164321449
• PubChem CID: 47002440

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.003145
• LogD (pH = 7.4): 3.2723377
• Log P: 5.413807
• Molar Refractivity: 80.1919 cm^3
• Polarizability: 31.48629 Å^3
• Polar Surface Area: 38.38 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 6.951

Product Information

• Purity: 95%