4-Thiazolidinone, 3-(1-phenylethyl)-2-thioxo-

Base Information

• Chemical Name: 4-Thiazolidinone, 3-(1-phenylethyl)-2-thioxo-
• CAS No.: 23538-08-1
• Molecular Formula: C11H11 N O S2
• Molecular Weight: 237.3411
• Hs Code.: 2934999090
• NSC Number: 209926
• Mol file: 23538-08-1.mol

Synonyms:23538-08-1;4-Thiazolidinone, 3-(1-phenylethyl)-2-thioxo-;3-(1-Phenylethyl)-2-thioxothiazolidin-4-one;3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one;NSC209926;3-(1-Phenylethyl)-2-thioxo-1,3-thiazolidin-4-one;3-(alpha-Methylbenzyl)rhodanine;Rhodanine, 3-(alpha-methylbenzyl)-;NSC 209926;BRN 0084515;starbld0027257;Maybridge3_004762;3-(1-Phenyl-ethyl)-2-thioxo-thiazolidin-4-one;HMS1444I10;CCG-43543;MFCD01684698;STK092290;AKOS000313147;NSC-209926;IDI1_016149;UPCMLD0ENAT5772904:001;NS-03246;CS-0333522;3-(1-phenylethyl)-2-thioxo-thiazolidin-4-one;SR-01000003846;A1-03738;SR-01000003846-1;SR-01000003846-2;Z237479996

Chemical Property of 4-Thiazolidinone, 3-(1-phenylethyl)-2-thioxo-

Chemical Property:

• Vapor Pressure: 3.95E-05mmHg at 25°C
• Boiling Point: 352°Cat760mmHg
• Flash Point: 166.7°C
• PSA: 77.70000
• Density: 1.34g/cm³
• LogP: 2.54580
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 237.02820632
• Heavy Atom Count: 15
• Complexity: 274

Purity/Quality:

3-(1-PHENYL-ETHYL)-2-THIOXO-THIAZOLIDIN-4-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)N2C(=O)CSC2=S

Technology Process of 4-Thiazolidinone, 3-(1-phenylethyl)-2-thioxo-

There total 6 articles about 4-Thiazolidinone, 3-(1-phenylethyl)-2-thioxo- 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: 55.0%

carbon disulfide (75-15-0,12122-00-8) + ethyl bromoacetate (105-36-2) + rac-methylbenzylamine (618-36-0) → 3-(1-phenylethyl)-2-thioxothiazolidin-4-one (23538-08-1)

Guidance literature:

rac-methylbenzylamine; With cyanomethanide; In acetonitrile; at -20 ℃; for 1h;

carbon disulfide; In acetonitrile; at -20 ℃; for 1h;

ethyl bromoacetate; In acetonitrile; at -20 - 20 ℃;

DOI:10.1080/17415990903191752

Reference yield:

(1-phenyl-ethylthiocarbamoylsulfanyl)-acetic acid (708978-74-9) → 3-(1-phenylethyl)-2-thioxothiazolidin-4-one (23538-08-1)

Guidance literature:

With acetic acid; dl-N-α-phenethyl-rhodanine;

Reference yield:

→ 3-(1-phenylethyl)-2-thioxothiazolidin-4-one (23538-08-1)

Guidance literature:

With acetic acid; l-N-α-phenethyl-rhodanine;

upstream raw materials:

(1-phenyl-ethylthiocarbamoylsulfanyl)-acetic acid

bis(carboxymethyl)trithiocarbonate

rac-methylbenzylamine

(R)-1-phenyl-ethyl-amine