3-Anilinorhodanine

Base Information

• Chemical Name: 3-Anilinorhodanine
• CAS No.: 13097-10-4
• Molecular Formula: C9H8 N2 O S2
• Molecular Weight: 224.307
• Hs Code.: 2934999090
• European Community (EC) Number: 654-805-2
• NSC Number: 91507
• DSSTox Substance ID: DTXSID50293687
• Wikidata: Q82032585
• ChEMBL ID: CHEMBL1881892
• Mol file: 13097-10-4.mol

Synonyms:3-Anilinorhodanine;13097-10-4;3-Anilino-2-thioxo-1,3-thiazolidin-4-one;3-anilino-2-sulfanylidene-1,3-thiazolidin-4-one;3-(Phenylamino)-2-thioxothiazolidin-4-one;3-(phenylamino)-2-sulfanylidene-1,3-thiazolidin-4-one;MLS002695078;4-Thiazolidinone, 3-(phenylamino)-2-thioxo-;Phenylaminorhodanin;NSC91507;3-(phenylamino)-2-thioxo-1,3-thiazolidin-4-one;Oprea1_215324;Oprea1_329563;SCHEMBL1836733;CHEMBL1881892;DTXSID50293687;HMS1677L13;HMS3079I23;MFCD00022547;NSC 91507;NSC-91507;STK350629;AKOS000313278;LS-04018;SMR001560991;CS-0270165;Thiazolidin-4-one, 3-phenylamino-2-thioxo-;3-Anilino-2-thioxo-1,3-thiazolidin-4-one #;EN300-230554;AG-690/36279058;SR-01000408135;SR-01000408135-1;BRD-K17153023-001-05-5

Chemical Property of 3-Anilinorhodanine

Chemical Property:

• Vapor Pressure: 8.45E-05mmHg at 25°C
• Boiling Point: 340.7°Cat760mmHg
• Flash Point: 159.9°C
• PSA: 89.73000
• Density: 1.48g/cm³
• LogP: 1.88470
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 224.00780523
• Heavy Atom Count: 14
• Complexity: 251

Purity/Quality:

98%min ^*data from raw suppliers

3-Anilino-2-thioxo-1,3-thiazolidin-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)N(C(=S)S1)NC2=CC=CC=C2

Technology Process of 3-Anilinorhodanine

There total 5 articles about 3-Anilinorhodanine 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:

(3-phenyl-thiohydrazinocarbonylmercapto)-acetic acid ethyl ester → 3-anilino-2-thioxo-1,3-thiazolidin-4-one (13097-10-4)

Guidance literature:

at 110 ℃;

Reference yield:

chloroacetic acid ethyl ester (105-39-5) → 3-anilino-2-thioxo-1,3-thiazolidin-4-one (13097-10-4) + (3-phenyl-thiohydrazinocarbonylmercapto)-acetic acid ethyl ester

Guidance literature:

With ethanol;

Reference yield:

bis(carboxymethyl)trithiocarbonate (6326-83-6) + phenylhydrazine hydrochloride (59-88-1) → 3-anilino-2-thioxo-1,3-thiazolidin-4-one (13097-10-4)

Guidance literature:

With water; sodium carbonate;

upstream raw materials:

bis(carboxymethyl)trithiocarbonate

phenylhydrazine hydrochloride

sodium monochloroacetic acid

phenylhydrazine

Downstream raw materials:

5-(4'-methylphenylazo)-3-phenylamino-2-thioxothiazolidin-4-one

5-(4'-chlorophenylazo)-3-phenylamino-2-thioxothiazolidin-4-one

5-(4'-methoxyphenylazo)-3-phenylamino-2-thioxothiazolidin-4-one

5-(4'-nitrophenylazo)-3-phenylamino-2-thioxothiazolidin-4-one