(dimethylcarbamothioyl)sulfanide; dimethylazanium

• ChemBase ID: 109887
• Molecular Formular: C5H14N2S2
• Molecular Mass: 166.30806
• Monoisotopic Mass: 166.05984046
• SMILES: C[NH2+]C.CN(C)C(=S)[S-]
• Canonical SMILES: CN(C(=S)[S-])C.C[NH2+]C
• InChI: InChI=1S/C3H7NS2.C2H7N/c1-4(2)3(5)6;1-3-2/h1-2H3,(H,5,6);3H,1-2H3
• InChIKey: UVOFGKIRTCCNKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dimethylcarbamothioyl)sulfanide; dimethylazanium
• IUPAC Traditional name: (dimethylcarbamothioyl)sulfanide; dimethylazanium
• Synonyms: DIMETHYLAMMONIUM DIMETHYLDITHIOCARBAMATE

Database IDs

• CAS Number: 598-64-1
• PubChem SID: 162095844
• PubChem CID: 11728

CALCULATED PROPERTIES

• Acid pKa: 2.0140626
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.15268822
• LogD (pH = 7.4): 0.1508859
• Log P: 1.2938448
• Molar Refractivity: 36.2607 cm^3
• Polarizability: 14.217208 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05212900

MP Biomedicals Rare Chemical collection