N-Aminorhodanine

Base Information

• Chemical Name: N-Aminorhodanine
• CAS No.: 1438-16-0
• Molecular Formula: C3H4N2OS2
• Molecular Weight: 148.21
• Hs Code.: 29341000
• European Community (EC) Number: 215-870-9
• NSC Number: 23272
• UNII: KSE5X2C0RX
• DSSTox Substance ID: DTXSID7061691
• Nikkaji Number: J298.623J
• Wikidata: Q72442040
• ChEMBL ID: CHEMBL390330
• Mol file: 1438-16-0.mol

Synonyms:3-aminorhodanine

Chemical Property of N-Aminorhodanine

Chemical Property:

• Appearance/Colour: yellowish crystalline powder
• Vapor Pressure: 0.0078mmHg at 25°C
• Melting Point: 100-103 °C(lit.)
• Refractive Index: 1.788
• Boiling Point: 268.2 °C at 760 mmHg
• PKA: -2.30±0.20(Predicted)
• Flash Point: 116 °C
• PSA: 103.72000
• Density: 1.71 g/cm³
• LogP: 0.35860
• Storage Temp.: Store below +30°C.
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 147.97650510
• Heavy Atom Count: 8
• Complexity: 146

Purity/Quality:

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

3-Aminorhodanine 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 24-28
• Safety Statements: 22-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C(=O)N(C(=S)S1)N

Technology Process of N-Aminorhodanine

There total 10 articles about N-Aminorhodanine 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:

4-{[(E)-4-Oxo-2-thioxo-thiazolidin-3-ylimino]-methyl}-benzoic acid → 3-aminorhodanine (1438-16-0) + 4-Carboxybenzaldehyde (619-66-9)

Guidance literature:

In phosphate buffer; water-d2; pH=7; Equilibrium constant;

DOI:10.1039/b211645f

Reference yield:

3-[2-Methyl-prop-(E)-ylideneamino]-2-thioxo-thiazolidin-4-one → 3-aminorhodanine (1438-16-0) + isobutyraldehyde (78-84-2)

Guidance literature:

In phosphate buffer; water-d2; pH=7; Equilibrium constant;

DOI:10.1039/b211645f

Reference yield:

chloroacetic acid ethyl ester (105-39-5) → 3-aminorhodanine (1438-16-0)

Guidance literature:

With ethanol;

upstream raw materials:

bis(carboxymethyl)trithiocarbonate

dithiocarbonic acid hydrazide

chloroacetic acid ethyl ester

dithiocarbonic acid hydrazide, hydrazonium salt

Downstream raw materials:

3-{[(2E)-3-phenylprop-2-en-1-ylidene]amino}-2-thioxo-1,3-thiazolidin-4-one

3-amino-5-trans-cinnamylidene-2-thioxo-thiazolidin-4-one

5-trans-cinnamylidene-3-trans-cinnamylidenamino-2-thioxo-thiazolidin-4-one

N,N-Diacetylamino-rhodanin

Refernces

• 1、 Siddiqi, K. S.,Kureshy, R. I.,Khan, N. H.,Khan, L. A.,Tabassum, S.,Zaidi, S. A. A.. "Characterization and Toxicity of Organotin(IV) Halide Complexes of Cyclohexanone Spirothiazolidinone and 3-Aminorhodanine". . p. 954 - 956. Retrieved 2007/10/02.