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

• ChemBase ID: 265537
• Molecular Formular: C16H33BrN2S
• Molecular Mass: 365.41562
• Monoisotopic Mass: 364.15478207
• SMILES: C(=N\C1CC1)(/SCCCCCCCCCCCC)\N.Br
• Canonical SMILES: CCCCCCCCCCCCS/C(=N/C1CC1)/N.Br
• InChI: InChI=1S/C16H32N2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-14-19-16(17)18-15-12-13-15;/h15H,2-14H2,1H3,(H2,17,18);1H
• InChIKey: VQKUUTUMMGZNDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N'-cyclopropyl(dodecylsulfanyl)methanimidamide hydrobromide
• IUPAC Traditional name: (E)-N'-cyclopropyldodecylsulfanylmethanimidamide hydrobromide
• Synonyms: N'-cyclopropyl(dodecylsulfanyl)methanimidamide hydrobromide

Database IDs

• MDL Number: MFCD16039995
• PubChem SID: 164321447
• PubChem CID: 47002436

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.484859
• LogD (pH = 7.4): 4.15119
• Log P: 5.8793716
• Molar Refractivity: 87.4031 cm^3
• Polarizability: 34.44064 Å^3
• Polar Surface Area: 38.38 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 7.535

Product Information

• Purity: 95%