trimethylsulfanium oxidanide

• ChemBase ID: 158429
• Molecular Formular: C3H10OS
• Molecular Mass: 94.1759
• Monoisotopic Mass: 94.04523594
• SMILES: C[S+](C)C.[OH-]
• Canonical SMILES: C[S+](C)C.[OH-]
• InChI: InChI=1S/C3H9S.H2O/c1-4(2)3;/h1-3H3;1H2/q+1;/p-1
• InChIKey: MDTPTXSNPBAUHX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethylsulfanium oxidanide
• IUPAC Traditional name: trimethylsulfonium oxidanide
• Synonyms: TMSH; Trimethylsulfonium hydroxide solution; 三甲基氢氧化硫 溶液

Database IDs

• CAS Number: 17287-03-5
• MDL Number: MFCD00216756
• Beilstein Number: 3910286
• PubChem SID: 162252565; 24889697
• PubChem CID: 11105313

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.07723071
• LogD (pH = 7.4): -0.07723071
• Log P: -0.07723071
• Molar Refractivity: 22.4031 cm^3
• Polarizability: 9.693327 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 11 °C; 51.8 °F

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 3286
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 16-36/37-45
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H311-H315-H319-H331-H370
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P305 + P351 + P338-P311
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3286 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: ~0.25 M in methanol
• Grade: for GC derivatization
• Packaging: pkg of 10 × 1 mL
• Linear Formula: (CH3)3S(OH)

DETAILS

Sigma Aldrich - 92732

Other Notes
Reagent for the methylation of nucleophiles, e.g. carboxylic acids, alcohols, thiols, N-heterocycles1,2; Rapid derivatization of acids for GC by pre-column transesterification of glycerides3,4