[amino(methylsulfanyl)methylidene]azanium iodide

• ChemBase ID: 85411
• Molecular Formular: C2H7IN2S
• Molecular Mass: 218.05985
• Monoisotopic Mass: 217.93746723
• SMILES: [NH2+]=C(SC)N.[I-]
• Canonical SMILES: CSC(=[NH2+])N.[I-]
• InChI: InChI=1S/C2H6N2S.HI/c1-5-2(3)4;/h1H3,(H3,3,4);1H
• InChIKey: LFXAECSQJSRSTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00035598
• PubChem SID: 162072527
• PubChem CID: 14325100

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -2.0011563
• LogD (pH = 7.4): -1.9397736
• Log P: 0.4134605
• Molar Refractivity: 35.7793 cm^3
• Polarizability: 9.667943 Å^3
• Polar Surface Area: 51.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true