2-(5-Oxo-2-sulfanylideneimidazolidin-4-yl)acetic acid

Base Information

• Chemical Name: 2-(5-Oxo-2-sulfanylideneimidazolidin-4-yl)acetic acid
• CAS No.: 41679-36-1
• Molecular Formula: C₅H₆N₂O₃S
• Molecular Weight: 174.18
• DSSTox Substance ID: DTXSID30401162
• NSC Number: 79150
• Mol file: 41679-36-1.mol

Synonyms:41679-36-1;2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetic acid;2-(5-Oxo-2-thioxoimidazolidin-4-yl)acetic acid;4-Imidazolidineacetic acid, 5-oxo-2-thioxo-;NSC79150;ST091114;(5-oxo-2-thioxoimidazolidin-4-yl)acetic acid;2-thiohydantoin-5-acetic acid;SCHEMBL2871169;DTXSID30401162;SFTCZYKYHDNYHY-UHFFFAOYSA-N;NSC-79150;AKOS001653317;AKOS022004852;2-Thioxo-imidazolidin-4-one-5-ethanoic acid;CS-0069206;EU-0013101;D73780;(5-Oxo-2-thioxo-4-imidazolidinyl)acetic acid #;SR-01000502003;SR-01000502003-1

Chemical Property of 2-(5-Oxo-2-sulfanylideneimidazolidin-4-yl)acetic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.63g/cm³
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 174.00991323
• Heavy Atom Count: 11
• Complexity: 228

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C(=O)NC(=S)N1)C(=O)O

Technology Process of 2-(5-Oxo-2-sulfanylideneimidazolidin-4-yl)acetic acid

There total 4 articles about 2-(5-Oxo-2-sulfanylideneimidazolidin-4-yl)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:

2-(3'-acetyl-5'-oxo-2'-thioxoimidazolidin-4'-yl)acetamide (834883-14-6) → 2-(5'-oxo-2'-thioxoimidazolidin-4'-yl)acetic acid (41679-36-1)

Guidance literature:

With hydrogenchloride; In water; Yield given; evaporation;

Reference yield:

ammonium thiocyanate (1147550-11-5) + aspartic Acid (617-45-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) → 2-(5'-oxo-2'-thioxoimidazolidin-4'-yl)acetic acid (41679-36-1)

Guidance literature:

With acetic anhydride; acetic acid; Behandeln des Reaktionsprodukts mit konz.wss.HCl;

Reference yield:

→ 2-(5'-oxo-2'-thioxoimidazolidin-4'-yl)acetic acid (41679-36-1)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

ammonium thiocyanate

aspartic Acid

2-(3'-acetyl-5'-oxo-2'-thioxoimidazolidin-4'-yl)acetamide

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