trisodium [disulfanidyl(sulfanylidene)stibanyl]sulfanide nonahydrate

• ChemBase ID: 158516
• Molecular Formular: H18Na3O9S4Sb
• Molecular Mass: 481.12683
• Monoisotopic Mass: 479.856489
• SMILES: O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[S-][Sb](=S)([S-])[S-]
• Canonical SMILES: [S-][Sb](=S)([S-])[S-].O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+]
• InChI: InChI=1S/3Na.9H2O.4S.Sb/h;;;9*1H2;;;;;/q3*+1;;;;;;;;;;;3*-1
• InChIKey: ZHSCVFVPXYYCAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trisodium [disulfanidyl(sulfanylidene)stibanyl]sulfanide nonahydrate
• IUPAC Traditional name: trisodium [disulfanidyl(sulfanylidene)stibanyl]sulfanide nonahydrate
• Synonyms: Sodium thioantimonate(V) nonahydrate; 硫代锑(V)酸钠 九水合物

Database IDs

• CAS Number: 10101-91-4
• EC Number: 237-414-8
• MDL Number: MFCD00149486
• PubChem SID: 162252652; 24847023
• PubChem CID: 71312650

CALCULATED PROPERTIES

• Acid pKa: 1.7016977
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.3761604
• LogD (pH = 7.4): -2.669342
• Log P: 1.5908
• Molar Refractivity: 37.7352 cm^3
• Polarizability: 19.722507 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 1549
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/22-51/53
• Safety Statements: 61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H332-H411
• GHS Precautionary statements: P273
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1549 6.1/PG 3

Product Information

• Purity: 22.5% Sb basis
• Cation Traces: Fe: 50 mg/kg
• Antion Traces: chloride (Cl-): 100 mg/kg
• Linear Formula: Na3SbS4 · 9H2O