N'-(prop-2-en-1-yl)(dodecylsulfanyl)methanimidamide hydrobromide

• ChemBase ID: 284718
• Molecular Formular: C16H33BrN2S
• Molecular Mass: 365.41562
• Monoisotopic Mass: 364.15478207
• SMILES: C(=N\CC=C)(/SCCCCCCCCCCCC)\N.Br
• Canonical SMILES: CCCCCCCCCCCCS/C(=N/CC=C)/N.Br
• InChI: InChI=1S/C16H32N2S.BrH/c1-3-5-6-7-8-9-10-11-12-13-15-19-16(17)18-14-4-2;/h4H,2-3,5-15H2,1H3,(H2,17,18);1H
• InChIKey: FRLFEUMNAIGZBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(prop-2-en-1-yl)(dodecylsulfanyl)methanimidamide hydrobromide
• IUPAC Traditional name: N'-(prop-2-en-1-yl)dodecylsulfanylmethanimidamide hydrobromide
• Synonyms: N'-(prop-2-en-1-yl)(dodecylsulfanyl)methanimidamide hydrobromide

Database IDs

• MDL Number: MFCD20502239
• PubChem SID: 180670249
• PubChem CID: 54596093

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7598326
• LogD (pH = 7.4): 4.549453
• Log P: 6.1450567
• Molar Refractivity: 89.3546 cm^3
• Polarizability: 34.94297 Å^3
• Polar Surface Area: 38.38 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 60 - 62°C
• Hydrophobicity(logP): 7.725

Product Information

• Purity: 95%