sodium 2-sulfanylacetate

• ChemBase ID: 87277
• Molecular Formular: C2H3NaO2S
• Molecular Mass: 114.09879
• Monoisotopic Mass: 113.97514462
• SMILES: SCC(=O)[O-].[Na+]
• Canonical SMILES: [O-]C(=O)CS.[Na+]
• InChI: InChI=1S/C2H4O2S.Na/c3-2(4)1-5;/h5H,1H2,(H,3,4);/q;+1/p-1
• InChIKey: GNBVPFITFYNRCN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2-sulfanylacetate
• IUPAC Traditional name: sodium thioglycolate; potassium thioglycolate
• Synonyms: Sodium mercaptoacetate; Sodium thioacetate; Sodium thioglycolate; Mercaptoacetic acid sodium salt; THIOGLYCOLIC ACID SODIUM SALT BACTERIOLOGICAL GRADE; Mercaptoacetic acid sodium salt; Thioglycolic acid sodium salt; Sodium thioglycolate; 巯基乙酸钠; 巯乙酸 钠盐; 巯基乙酸 钠盐; 硫代乙醇酸钠

Database IDs

• CAS Number: 367-51-1
• EC Number: 206-696-4
• MDL Number: MFCD00043386
• Beilstein Number: 4569109
• Merck Index: 148692
• PubChem SID: 162074388; 24899901
• PubChem CID: 23690444

CALCULATED PROPERTIES

• Acid pKa: 4.2001157
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3153695
• LogD (pH = 7.4): -3.0313642
• Log P: 0.003219707
• Molar Refractivity: 31.31 cm^3
• Polarizability: 7.956367 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: > 300 °C (572 °F); >300 °C(lit.); 300°C; ca 305°C
• Vapor Pressure: Zero

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: Air Sensitive & Hygroscopic; Harmful/Irritant
• RTECS: AI7700000
• European Hazard Symbols: X; Irritant (Xi); Harmful (Xn)
• UN Number: 2811; UN3335
• German water hazard class: 1
• Hazard Class: 6.1; 9
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: 22-38; 22-43; R:36/37/38
• Safety Statements: 24-36/37; 36; S:20-25-26-37/39
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319; H302-H317
• GHS Precautionary statements: P261-P280-P302+P352-P321-P301+P312-P501A; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: ≥97%; ≥96.5% (iodometric); 97%
• Grade: BACTERIOLOGICAL
• Linear Formula: HSCH2COONa

DETAILS

MP Biomedicals - 02102933

Bacteriological Grade
Sodium Salt
Crystalline
Purity: =97%

Sigma Aldrich - T0632

Caution
At room temperature, concentrations over 70% in water tend to form 1-2% thioglycolides per month which hydrolyze to the original free compound when made acidic or alkaline. The 70% solution oxidizes in air but is stable at room temperature when tightly closed. Thioglycolate salts may also lose purity on storage. The exclusion of air does not materially improve stability.
Packaging
25, 100, 500 g in poly bottle

Sigma Aldrich - 109002

Application
For preparation of bacteriological media. Analytical reagent.