N-(4-methoxyphenyl)-N'-methyl(methylsulfanyl)methanimidamide hydroiodide

• ChemBase ID: 84041
• Molecular Formular: C10H15IN2OS
• Molecular Mass: 338.20837
• Monoisotopic Mass: 337.99498211
• SMILES: N(c1ccc(cc1)OC)/C(=N/C)/SC.I
• Canonical SMILES: CS/C(=N\C)/Nc1ccc(cc1)OC.I
• InChI: InChI=1S/C10H14N2OS.HI/c1-11-10(14-3)12-8-4-6-9(13-2)7-5-8;/h4-7H,1-3H3,(H,11,12);1H
• InChIKey: NAHZOTYAKATMFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)-N'-methyl(methylsulfanyl)methanimidamide hydroiodide
• IUPAC Traditional name: N-(4-methoxyphenyl)-N'-methylmethylsulfanylmethanimidamide hydroiodide
• Synonyms: methyl N-methyl-(4-methoxyanilino)methanimidothioate hydroiodide

Database IDs

• MDL Number: MFCD00126769
• PubChem SID: 162071157
• PubChem CID: 2781353

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9528467
• LogD (pH = 7.4): 2.4120038
• Log P: 2.6635432
• Molar Refractivity: 62.2573 cm^3
• Polarizability: 23.316336 Å^3
• Polar Surface Area: 33.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true