N,N'-dimethyl(methylsulfanyl)methanimidamide hydroiodide

• ChemBase ID: 79556
• Molecular Formular: C4H11IN2S
• Molecular Mass: 246.11301
• Monoisotopic Mass: 245.96876736
• SMILES: N(=C(\NC)/SC)/C.I
• Canonical SMILES: CN/C(=N/C)/SC.I
• InChI: InChI=1S/C4H10N2S.HI/c1-5-4(6-2)7-3;/h1-3H3,(H,5,6);1H
• InChIKey: VAKZYIIFXHRFIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-dimethyl(methylsulfanyl)methanimidamide hydroiodide; (Z)-N,N'-dimethyl(methylsulfanyl)methanimidamide hydroiodide
• IUPAC Traditional name: N,N'-dimethylmethylsulfanylmethanimidamide hydroiodide; (Z)-N,N'-dimethylmethylsulfanylmethanimidamide hydroiodide
• Synonyms: methyl N-methyl-(methylamino)methanimidothioate hydroiodide; N,N’-Dimethyl-S-methylisothiouronium Iodide; N,N’-Dimethyl-carbamimidothioic Acid Methyl Ester Monohydriodide; N,N’,S-Trimethylthiopseudourea Hydriodide; S,N,N'-Trimethylisothiouronium Iodide

Database IDs

• CAS Number: 6966-83-2
• MDL Number: MFCD00100538
• PubChem SID: 162044319
• PubChem CID: 2775205

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4979371
• LogD (pH = 7.4): -1.3222173
• Log P: 0.914746
• Molar Refractivity: 34.2357 cm^3
• Polarizability: 13.045473 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: Yellow Solid