potassium (methoxymethanethioyl)sulfanide

• ChemBase ID: 55778
• Molecular Formular: C2H3KOS2
• Molecular Mass: 146.27292
• Monoisotopic Mass: 145.9262384
• SMILES: C(=S)([S-])OC.[K+]
• Canonical SMILES: [S-]C(=S)OC.[K+]
• InChI: InChI=1S/C2H4OS2.K/c1-3-2(4)5;/h1H3,(H,4,5);/q;+1/p-1
• InChIKey: PEEXCRJDFUVJRT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (methoxymethanethioyl)sulfanide
• IUPAC Traditional name: potassium (methoxymethanethioyl)sulfanide
• Synonyms: Potassium (methoxycarbonothioyl)sulfide

Database IDs

• MDL Number: MFCD01739957
• PubChem SID: 162060541
• PubChem CID: 11309586

CALCULATED PROPERTIES

• Acid pKa: 1.1482472
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.65659654
• LogD (pH = 7.4): 0.65635055
• Log P: 1.7993294
• Molar Refractivity: 29.4142 cm^3
• Polarizability: 11.938462 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false