Carboxymethyl methanethiosulfonate

Base Information

• Chemical Name: Carboxymethyl methanethiosulfonate
• CAS No.: 13700-15-7
• Molecular Formula: C₃H₆O₄S₂
• Molecular Weight: 170.21
• Hs Code.: 2930909090
• European Community (EC) Number: 816-716-9
• Mol file: 13700-15-7.mol

Synonyms:Carboxymethyl methanethiosulfonate;13700-15-7;2-methylsulfonylsulfanylacetic Acid;Acetic acid, [(methylsulfonyl)thio]-;2-(methanesulfonylsulfanyl)acetic acid;CARBOXYMETHYLMETHANETHIOSULFONATE;2-((METHYLSULFONYL)THIO)ACETIC ACID;Thio-methanesulfonic Acid;[(Methylsulfonyl)thio]acetic Acid;2-(methylsulfonylthio)acetic acid;AKOS006293192;AT19140;CS-0216139;EN300-343220;J-006947

Chemical Property of Carboxymethyl methanethiosulfonate

Chemical Property:

• Vapor Pressure: 2.09E-08mmHg at 25°C
• Melting Point: 172-174?C
• Refractive Index: 1.552
• Boiling Point: 424.8°C at 760 mmHg
• Flash Point: 210.7°C
• PSA: 105.12000
• Density: 1.58g/cm³
• LogP: 0.84460
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly)
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 169.97075102
• Heavy Atom Count: 9
• Complexity: 186

Purity/Quality:

98%Min ^*data from raw suppliers

CarboxymethylMethanethiosulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)SCC(=O)O
• Uses: Reacts specifically and rapidly with thiols to form mixed disulfides. Used to probe the structures of the ACh receptor channel of the GABA receptor channel and of lactose permease. CarboxyMethyl Methanethiosulfonate is used to probe the structures of the ACh receptor channel of the GABA receptor channel and of lactose permease

Technology Process of Carboxymethyl methanethiosulfonate

There total 3 articles about Carboxymethyl methanethiosulfonate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

sodium methanethiosulfonate (1950-85-2) + bromoacetic acid (79-08-3) → 2-((methylsulfonyl)thio)acetic acid (13700-15-7)

Guidance literature:

In acetone; at 20 ℃; for 20h;

DOI:10.1080/14756366.2016.1252757

Reference yield:

potassium methanethiosulphonate (6340-98-3) + bromoacetic acid (79-08-3) → 2-((methylsulfonyl)thio)acetic acid (13700-15-7)

Guidance literature:

In water; acetone;

Reference yield:

→ 2-((methylsulfonyl)thio)acetic acid (13700-15-7)

Guidance literature:

Methylthiosulfonsaeure-K-salz, Bromessigsaeure;

upstream raw materials:

potassium methanethiosulphonate

bromoacetic acid

sodium methanethiosulfonate

Refernces