disodium 2-(auriosulfanyl)butanedioate

• ChemBase ID: 303462
• Molecular Formular: C4H3AuNa2O4S
• Molecular Mass: 390.07531
• Monoisotopic Mass: 389.92131114
• SMILES: C(C(C(=O)[O-])S[Au])C(=O)[O-].[Na+].[Na+]
• Canonical SMILES: [Au]SC(C(=O)[O-])CC(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C4H6O4S.Au.2Na/c5-3(6)1-2(9)4(7)8;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;/q;3*+1/p-3
• InChIKey: VXIHRIQNJCRFQX-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 2-(auriosulfanyl)butanedioate
• IUPAC Traditional name: disodium 2-(auriosulfanyl)butanedioate
• Synonyms: Gold sodium thiomalate; Sodium aurothiomalate(I); 金(I)硫丁二酸钠

Database IDs

• CAS Number: 12244-57-4
• EC Number: 235-479-7
• MDL Number: MFCD00064304
• Merck Index: 144518

CALCULATED PROPERTIES

• Acid pKa: 3.1823614
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.1868904
• LogD (pH = 7.4): -6.2529507
• Log P: -0.1051
• Molar Refractivity: 51.7783 cm^3
• Polarizability: 19.502787 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Very soluble in water. Practically insoluble in alcohol, ether
• Apperance: Powder

Safety Information

• RTECS: MD5435000
• European Hazard Symbols: X
• Risk Statements: 20/22-43
• Safety Statements: 9-24-37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H332-H317
• GHS Precautionary statements: P261-P301+P310-P302+P352-P321-P405-P501A

Product Information

• Purity: 99.9% (metals basis)