Rhodanine, 3-(p-bromophenyl)-

Base Information

• Chemical Name: Rhodanine, 3-(p-bromophenyl)-
• CAS No.: 10574-70-6
• Molecular Formula: C9H6 Br N O S2
• Molecular Weight: 288.189
• Hs Code.: 2934999090
• NSC Number: 246966
• UNII: UX2FM8E2ZH
• DSSTox Substance ID: DTXSID70147310
• Wikidata: Q83012577
• Mol file: 10574-70-6.mol

Synonyms:10574-70-6;Rhodanine, 3-(p-bromophenyl)-;3-(4-Bromophenyl)-2-thioxo-4-thiazolidinone;3-(p-Bromophenyl)rhodanine;3-(4-Bromophenyl)rhodanine;4-Thiazolidinone, 3-(4-bromophenyl)-2-thioxo-;3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one;UX2FM8E2ZH;NSC 246966;BRN 0174102;3-(4-Bromophenyl)-2-thioxothiazolidin-4-one;1-27-00-00310 (Beilstein Handbook Reference);NSC-246966;3-(4-BROMOPHENYL)-2-SULFANYLIDENE-THIAZOLIDIN-4-ONE;NSC246966;C9H6BrNOS2;UNII-UX2FM8E2ZH;3-(4-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one;C9-H6-Br-N-O-S2;DTXSID70147310;STL419015;AKOS000414366;LS-143543;3-(4-bromophenyl)-2-thioxo-1,3-thiazolan-4-one;SR-01000408784;SR-01000408784-1

Chemical Property of Rhodanine, 3-(p-bromophenyl)-

Chemical Property:

• Vapor Pressure: 3.47E-06mmHg at 25°C
• Boiling Point: 386.7°C at 760 mmHg
• Flash Point: 187.7°C
• PSA: 77.70000
• Density: 1.83g/cm³
• LogP: 2.87880
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 286.90742
• Heavy Atom Count: 14
• Complexity: 264

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Rhodanine, 3-(p-bromophenyl)-

There total 2 articles about Rhodanine, 3-(p-bromophenyl)- 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: 45.0%

bis(carboxymethyl)trithiocarbonate (6326-83-6) + 4-bromo-aniline (106-40-1) → 3-(4-bromophenyl)-1,3-thiazolidine-2-thion-4-one (10574-70-6)

Guidance literature:

In water; at 95 - 100 ℃; for 19h;

DOI:10.1016/j.bmc.2011.09.047

Reference yield:

→ 3-(4-bromophenyl)-1,3-thiazolidine-2-thion-4-one (10574-70-6)

Guidance literature:

entspr. Isothiocyanat, Thioglykolat;

Reference yield:

3-(4-bromophenyl)-1,3-thiazolidine-2-thion-4-one (10574-70-6) + 2,5-dimethyl-1H-pyrrole-1-(3-(1H-tetrazol-5-yl)phenyl)-3-carbaldehyde (1236915-86-8) → 3-(4-bromophenyl)-5-((1-(3-(1H-tetrazol-5-yl)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxothiazolidin-4-one

Guidance literature:

With ammonium acetate; In methanol; toluene; Reflux;

DOI:10.1016/j.bmc.2011.09.047

upstream raw materials:

bis(carboxymethyl)trithiocarbonate

4-bromo-aniline

Downstream raw materials:

3-(4-bromo-phenyl)-5-(3,4-dimethyl-benzylidene)-2-thioxo-thiazolidin-4-one

3'-(4-bromo-phenyl)-3-methyl-2'-thioxo-tetrahydro-[2,5']bithiazolyliden-4'-one

3-(4-bromo-phenyl)-5-(4-methyl-benzylidene)-2-thioxo-thiazolidin-4-one

3-(4-bromo-phenyl)-5-(4-chloro-benzylidene)-2-thioxo-thiazolidin-4-one

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