ammonium aminomethanedithioic acid

• ChemBase ID: 797549
• Molecular Formular: CH7N2S2+
• Molecular Mass: 111.20968
• Monoisotopic Mass: 111.00506523
• SMILES: NC(=S)S.[NH4+]
• Canonical SMILES: NC(=S)S.[NH4+]
• InChI: InChI=1S/CH3NS2.H3N/c2-1(3)4;/h(H3,2,3,4);1H3/p+1
• InChIKey: DCYNAHFAQKMWDW-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium aminomethanedithioic acid
• IUPAC Traditional name: ammonium aminomethanedithioic acid
• Synonyms: Ammonium dithiocarbamate

Database IDs

• CAS Number: 513-74-6

CALCULATED PROPERTIES

• Acid pKa: 2.0783424
• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): -0.29436904
• LogD (pH = 7.4): -0.29645804
• Log P: 0.8464927
• Molar Refractivity: 25.7251 cm^3
• Polarizability: 10.231316 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%