{[hydrazinyl(methylsulfanyl)methylidene]amino}amine hydroiodide

• ChemBase ID: 81909
• Molecular Formular: C2H9IN4S
• Molecular Mass: 248.08913
• Monoisotopic Mass: 247.95926531
• SMILES: I.N/N=C(/SC)\NN
• Canonical SMILES: CS/C(=N/N)/NN.I
• InChI: InChI=1S/C2H8N4S.HI/c1-7-2(5-3)6-4;/h3-4H2,1H3,(H,5,6);1H
• InChIKey: XLRAKUURQVHNPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[hydrazinyl(methylsulfanyl)methylidene]amino}amine hydroiodide
• IUPAC Traditional name: {[hydrazinyl(methylsulfanyl)methylidene]amino}amine hydroiodide
• Synonyms: Methyl hydrazine-1-carbohydrazonothioate hydroiodide

Database IDs

• CAS Number: 37839-01-3
• MDL Number: MFCD09991850
• PubChem SID: 162069028
• PubChem CID: 5708880

CALCULATED PROPERTIES

• LogD (pH = 5.5): -1.2517588
• LogD (pH = 7.4): -0.18105628
• Log P: -0.11465756
• Molar Refractivity: 44.0254 cm^3
• Polarizability: 12.239649 Å^3
• Polar Surface Area: 76.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 3

PROPERTIES

Safety Information

• Storage Warning: Irritant