3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one

Base Information

Chemical Name:3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one
CAS No.:79610-23-4
Molecular Formula:C₁₈H₁₄N₂OS₃
Molecular Weight:370.52
Hs Code.:
DSSTox Substance ID:DTXSID50362589
Wikidata:Q72441485
Mol file:79610-23-4.mol

Synonyms:3-benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one;79610-23-4;3-benzyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one;DTXSID50362589;5-(3-methyl-2(3H)-benzothiazolylidene)-2-thioxo-3-benzyl-4-thiazolidinone

Suppliers and Price of 3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
4-THIAZOLIDINONE, 5-(3-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-3-(PHENYLMETHYL)-2-THIOXO- 95.00%
5MG
$ 503.94

Total 6 raw suppliers

Chemical Property of 3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one

Chemical Property:

Vapor Pressure:3.45E-08mmHg at 25°C
PSA：110.87000
Density:1.50
LogP:3.62750
XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:370.02682659
Heavy Atom Count:24
Complexity:571

Purity/Quality:

97% ^*data from raw suppliers

4-THIAZOLIDINONE, 5-(3-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-3-(PHENYLMETHYL)-2-THIOXO- 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=CC=CC=C2SC1=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4

Technology Process of 3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one

There total 5 articles about 3-Benzyl-5-(3-methylbenzothiazolin-2-ylidene)-2-thioxothiazolidin-4-one 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: 94.0%

: 10574-69-3
3-benzylrhodanine

: 55514-14-2
3-methyl-2-(methylthio)benzothiazolium tosylate

: 79610-23-4
5-(3-methyl-2(3H)-benzothiazolylidene)-2-thioxo-3-benzyl-4-thiazolidinone

Guidance literature:: With triethylamine; In acetonitrile; at 10 ℃; for 3h;

Reference yield:

: 615-22-5
2-methylmercaptobenzothiazole

: N-benzyl rhodanine

: 80-48-8
methyl p-toluene sulfonate

: 79610-23-4
5-(3-methyl-2(3H)-benzothiazolylidene)-2-thioxo-3-benzyl-4-thiazolidinone

Guidance literature:: With triethanolamine; In methanol; methoxybenzene;

Reference yield:

: 615-22-5
2-methylmercaptobenzothiazole

: 79610-23-4
5-(3-methyl-2(3H)-benzothiazolylidene)-2-thioxo-3-benzyl-4-thiazolidinone

Guidance literature:: Multi-step reaction with 2 steps

1: methoxybenzene / 1.5 h / 130 °C

2: NEt₃ / acetonitrile / 1 h / 0 °C

With triethylamine; In methoxybenzene; acetonitrile;
DOI:10.1021/jm0155704