disulfanylidenetungstendithiol diamine

• ChemBase ID: 148519
• Molecular Formular: H8N2S4W
• Molecular Mass: 348.17692
• Monoisotopic Mass: 347.90796327
• SMILES: N.N.S[W](=S)(=S)S
• Canonical SMILES: S[W](=S)(=S)S.N.N
• InChI: InChI=1S/2H3N.2H2S.2S.W/h2*1H3;2*1H2;;;/q;;;;;;+2/p-2
• InChIKey: MZSROLOWPFQNGM-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disulfanylidenetungstendithiol diamine
• IUPAC Traditional name: disulfanylidenetungstendithiol diamine
• Synonyms: Ammonium tetrathiotungstate; 四硫代钨酸铵

Database IDs

• CAS Number: 13862-78-7
• MDL Number: MFCD00061410
• PubChem SID: 162242694; 24860418
• PubChem CID: 53393497

CALCULATED PROPERTIES

• Acid pKa: 9.2032385
• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): 1.5671172
• LogD (pH = 7.4): 1.5606751
• Log P: 1.5672
• Molar Refractivity: 31.9792 cm^3
• Polarizability: 21.374676 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystalline
• Density: 2.71 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.9% trace metals basis
• Linear Formula: (NH4)2WS4

DETAILS

Sigma Aldrich - 336734

Packaging
5, 25 g in glass bottle
Application
This classic building block for transition metal sulfide cluster compounds was recently used in a low-temperature, solid state synthesis of a new series of heterometallic sulfide clusters stabilized with dppm [bis(diphenylphosphino)methane] ligands.1