2-(Carboxymethylsulfanylcarbothioylamino)acetic acid

Base Information

• Chemical Name: 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid
• CAS No.: 29677-65-4
• Molecular Formula: C5H7 N O4 S2
• Molecular Weight: 209.247
• Hs Code.: 2930909090
• NSC Number: 85654
• DSSTox Substance ID: DTXSID30395496
• Mol file: 29677-65-4.mol

Synonyms:29677-65-4;2-(carboxymethylsulfanylcarbothioylamino)acetic acid;NSC85654;SCHEMBL14466440;DTXSID30395496;NSC-85654

Chemical Property of 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid

Chemical Property:

• Vapor Pressure: 2.18E-09mmHg at 25°C
• Boiling Point: 451°Cat760mmHg
• Flash Point: 226.5°C
• PSA: 144.02000
• Density: 1.633g/cm³
• LogP: 0.15420
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 208.98165005
• Heavy Atom Count: 12
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)O)NC(=S)SCC(=O)O

Technology Process of 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid

There total 2 articles about 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid 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:

glycine-N-dithiocarboxylic acid (2041-59-0) + chloroacetic acid (79-11-8) → N-carboxymethylsulfanylthiocarbonyl-glycine (29677-65-4)

Guidance literature:

With sodium hydrogencarbonate; In water; at 20 ℃; for 48h;

DOI:10.3390/molecules25081964

Reference yield:

glycine (56-40-6,18875-39-3,25718-94-9) → N-carboxymethylsulfanylthiocarbonyl-glycine (29677-65-4)

Guidance literature:

With hydrogenchloride; potassium hydroxide; und Behandeln des Reaktionsprodukts mit chloressigsaurem Kalium;

Reference yield:

N-carboxymethylsulfanylthiocarbonyl-glycine (29677-65-4) → rhodanine 3-acetic acid (5718-83-2)

Guidance literature:

With hydrogenchloride; In water; for 1h; Heating;

DOI:10.3390/molecules25081964

upstream raw materials:

glycine

glycine-N-dithiocarboxylic acid

chloroacetic acid

Downstream raw materials:

(Z)-[5-(1-methyl-1H-indol-3-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl]acetic acid

rhodanine 3-acetic acid

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