[hydrazinyl(methylsulfanyl)methylidene](methyl)azanium iodide

• ChemBase ID: 81419
• Molecular Formular: C3H10IN3S
• Molecular Mass: 247.10107
• Monoisotopic Mass: 246.96401634
• SMILES: [NH+](=C(\NN)/SC)/C.[I-]
• Canonical SMILES: CS/C(=[NH+]\C)/NN.[I-]
• InChI: InChI=1S/C3H9N3S.HI/c1-5-3(6-4)7-2;/h4H2,1-2H3,(H,5,6);1H
• InChIKey: IHGDOMRJTRWAAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [hydrazinyl(methylsulfanyl)methylidene](methyl)azanium iodide
• IUPAC Traditional name: [hydrazinyl(methylsulfanyl)methylidene](methyl)azanium iodide
• Synonyms: [hydrazino(methylthio)methylidene](methyl)ammonium iodide

Database IDs

• MDL Number: MFCD01114609
• PubChem SID: 162068538
• PubChem CID: 2777302

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -1.9357837
• LogD (pH = 7.4): -0.79429126
• Log P: 0.4054942
• Molar Refractivity: 55.6529 cm^3
• Polarizability: 12.939009 Å^3
• Polar Surface Area: 52.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true