(dodecylsulfanyl)methanimidamide hydrobromide

• ChemBase ID: 259363
• Molecular Formular: C13H29BrN2S
• Molecular Mass: 325.35176
• Monoisotopic Mass: 324.12348194
• SMILES: C(=N)(SCCCCCCCCCCCC)N.Br
• Canonical SMILES: CCCCCCCCCCCCSC(=N)N.Br
• InChI: InChI=1S/C13H28N2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;/h2-12H2,1H3,(H3,14,15);1H
• InChIKey: WFERTJGZWKWNMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dodecylsulfanyl)methanimidamide hydrobromide
• IUPAC Traditional name: dodecylsulfanylmethanimidamide hydrobromide
• Synonyms: (dodecylsulfanyl)methanimidamide hydrobromide

Database IDs

• MDL Number: MFCD01694643
• PubChem SID: 164315273
• PubChem CID: 77086

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7755904
• LogD (pH = 7.4): 2.842126
• Log P: 5.1901307
• Molar Refractivity: 85.7101 cm^3
• Polarizability: 29.6402 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 108 - 110°C
• Hydrophobicity(logP): 5.895

Product Information

• Purity: 95%