Rhodanine

Base Information

• Chemical Name: Rhodanine
• CAS No.: 6913-23-1
• Deprecated CAS: 38895-62-4
• Molecular Formula: C3H3 N O S2
• Molecular Weight: 133.195
• Hs Code.: 2934999090
• European Community (EC) Number: 205-505-1
• NSC Number: 1899
• UNII: 7O50LKL2G8
• DSSTox Substance ID: DTXSID4026002
• Nikkaji Number: J5.808D
• Wikipedia: Rhodanine
• Wikidata: Q2741084
• Metabolomics Workbench ID: 70041
• ChEMBL ID: CHEMBL224633
• Mol file: 6913-23-1.mol

Synonyms:Rhodanine

Chemical Property of Rhodanine

Chemical Property:

• Melting Point: 168.5oC (CAPILLARY); 170.5-171oC (HOT STAGE)
• PSA: 93.20000
• LogP: 0.39160
• Storage Temp.: <0°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 132.96560607
• Heavy Atom Count: 7
• Complexity: 122

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Mercapto-5-thiazolidone >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Organic Compounds
• Canonical SMILES: C1C(=O)NC(=S)S1

Technology Process of Rhodanine

There total 5 articles about Rhodanine 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: 42.0%

carbon disulfide (75-15-0,12122-00-8) + glycinamide hydrochloride (1668-10-6) → 2-thioxo-thiazolidin-5-one (6913-23-1)

Guidance literature:

With potassium hydroxide; potassium carbonate; In water; for 5.5h; Ambient temperature;

Reference yield:

→ 2-thioxo-thiazolidin-5-one (6913-23-1)

Guidance literature:

With hydrogenchloride;

Reference yield:

glycylglycine (556-50-3) → 2-thioxo-thiazolidin-5-one (6913-23-1)

Guidance literature:

With barium dihydroxide; anschliessendes Behandeln mit wss. HCl;

upstream raw materials:

carbon disulfide

glycinamide hydrochloride

glycylglycine

H-Gly-NH₂

Downstream raw materials:

4-ethylidene-2-thioxo-thiazolidin-5-one

Glycylvaline

4-cyclohexylidene-2-thioxo-thiazolidin-5-one

glycine-(N'-benzyloxycarbonyl-hydrazide)