diammonium (sulfanidyldisulfanylidenemolybdenio)sulfanide

• ChemBase ID: 125841
• Molecular Formular: H8MoN2S4
• Molecular Mass: 260.29692
• Monoisotopic Mass: 261.86244027
• SMILES: [NH4+].[NH4+].[S-][Mo](=S)(=S)[S-]
• Canonical SMILES: [S-][Mo](=S)(=S)[S-].[NH4+].[NH4+]
• InChI: InChI=1S/Mo.2H3N.4S/h;2*1H3;;;;/q;;;;;2*-1/p+2
• InChIKey: PQNOIAHNKHBLRN-UHFFFAOYSA-P

NAMES AND DATABASE IDS

Names

• IUPAC name: diammonium (sulfanidyldisulfanylidenemolybdenio)sulfanide
• IUPAC Traditional name: diammonium tetrathiomolybdate
• Synonyms: Ammonium molybdenum sulfide; Ammonium tetrathiomolybdate; ammonium thiomolybdate; Ammonium tetrathiomolybdate; 四硫代钼酸铵

Database IDs

• CAS Number: 15060-55-6
• MDL Number: MFCD00136013
• PubChem SID: 24859366; 162220186
• PubChem CID: 15251598
• Chemspider ID: 10764593
• Wikipedia Title: Ammonium_tetrathiomolybdate

CALCULATED PROPERTIES

• Acid pKa: 9.2032385
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5671172
• LogD (pH = 7.4): 1.5606751
• Log P: 1.5672
• Molar Refractivity: 37.7352 cm^3
• Polarizability: 19.276106 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystalline; Crystalline; red crystals
• Melting Point: >300 °C(lit.); decomp ~ 155 °C
• pKb: decomposes

Safety Information

• Storage Warning: Hygroscopic
• RTECS: QA4668250
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• Main Hazard: toxic
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99.95% (metals basis); 99.97% trace metals basis
• Linear Formula: (NH4)2MoS4

DETAILS

Sigma Aldrich - 323446

Biochem/physiol Actions
Acts as a chelator in vivo to reduce copper levels. Tetrathiomolybdate interferes with angiogenesis and reduces tumor growth. Its mechanism may involve inhibition of NF-κB and downstream cytokines.2
Packaging
1, 10, 50 g in glass bottle
Application
Ring opening of aziridines leading to sulfides and disulfides.1
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.