magnesium(2+) ion (methylsulfanyl)methane diboranuide

• ChemBase ID: 143653
• Molecular Formular: C2H12B2MgS
• Molecular Mass: 114.10868
• Monoisotopic Mass: 114.06962388
• SMILES: [BH3-].[BH3-].CSC.[Mg+2]
• Canonical SMILES: CSC.[BH3-].[BH3-].[Mg+2]
• InChI: InChI=1S/C2H6S.2BH4.Mg/c1-3-2;;;/h1-2H3;2*1H4;/q;2*-1;+2
• InChIKey: RFPYWJXJTZNGGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion (methylsulfanyl)methane diboranuide
• IUPAC Traditional name: magnesium(2+) ion dimethyl sulfide diboranuide
• Synonyms: Magnesium borohydride dimethylsulfide complex

Database IDs

• MDL Number: MFCD18632584
• PubChem SID: 162237870
• PubChem CID: 71311026

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.2235795
• LogD (pH = 7.4): 1.2235795
• Log P: 1.2235795
• Molar Refractivity: 18.8917 cm^3
• Polarizability: 7.4785047 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• German water hazard class: 3
• Risk Statements: 14/15-34
• Safety Statements: 6-14-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H261-H314
• GHS Precautionary statements: P231 + P232-P280-P305 + P351 + P338-P310-P422
• Storage Temperature: 2-8°C

Product Information

• Linear Formula: Mg(BH4)2 · x(CH3)2S

DETAILS

Sigma Aldrich - 731226

Packaging
5 g in glass bottle