3-Butyl-2-thioxothiazolidin-4-one

Base Information

Chemical Name:3-Butyl-2-thioxothiazolidin-4-one
CAS No.:21494-64-4
Molecular Formula:C7H11 N O S2
Molecular Weight:189.302
Hs Code.:2934999090
European Community (EC) Number:244-408-9
NSC Number:190633
UNII:GI41CBY895
DSSTox Substance ID:DTXSID80175821
Nikkaji Number:J226.214B
Wikidata:Q83046147
Mol file:21494-64-4.mol

Synonyms:3-Butyl-2-thioxothiazolidin-4-one;21494-64-4;Rhodanine, 3-butyl-;3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one;3-Butylrhodanine;3-butyl-2-thioxo-1,3-thiazolidin-4-one;GI41CBY895;3-Butyl-2-thio-4-thiazolidinone;EINECS 244-408-9;NSC 190633;NSC-190633;BRN 0777171;4-thiazolidinone, 3-butyl-2-thioxo-;NSC190633;UNII-GI41CBY895;SCHEMBL2788487;DTXSID80175821;MFCD01684737;STL457115;AKOS000349024;LS-09769;3-BUTYL-2-THIOXO-4-THIAZOLIDINONE;LS-143554;EN300-186567

Suppliers and Price of 3-Butyl-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

Biosynth Carbosynth
3-Butyl-2-thioxo-1,3-thiazolidin-4-one
500 mg
$ 150.00

Biosynth Carbosynth
3-Butyl-2-thioxo-1,3-thiazolidin-4-one
250 mg
$ 85.00

Biosynth Carbosynth
3-Butyl-2-thioxo-1,3-thiazolidin-4-one
5 g
$ 868.00

Biosynth Carbosynth
3-Butyl-2-thioxo-1,3-thiazolidin-4-one
2 g
$ 434.00

AK Scientific
3-Butyl-2-thioxothiazolidin-4-one
250mg
$ 164.00

Total 8 raw suppliers

Chemical Property of 3-Butyl-2-thioxothiazolidin-4-one

Chemical Property:

Vapor Pressure:0.0097mmHg at 25°C
Boiling Point:264.4°Cat760mmHg
PKA:-1.76±0.20(Predicted)
Flash Point:113.7°C
PSA：77.70000
Density:1.27g/cm³
LogP:1.58470
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:189.02820632
Heavy Atom Count:11
Complexity:181

Purity/Quality:

99% ^*data from raw suppliers

3-Butyl-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:CCCCN1C(=O)CSC1=S

Technology Process of 3-Butyl-2-thioxothiazolidin-4-one

There total 6 articles about 3-Butyl-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%

: 75-15-0,12122-00-8
carbon disulfide

: 109-73-9,85404-21-3
N-butylamine

: 13558-70-8
methyl N-(chloroacetyl)carbamate

: 21494-64-4
NSC-190633

Guidance literature:: With triethylamine; In acetonitrile; at 20 ℃; for 0.166667h;
DOI:10.3390/molecules25051138

Reference yield: 60.0%

: 75-15-0,12122-00-8
carbon disulfide

: 109-73-9,85404-21-3
N-butylamine

: 79-11-8
chloroacetic acid

: 21494-64-4
NSC-190633

Guidance literature:: carbon disulfide; N-butylamine; With potassium carbonate; In methanol; for 3h;

chloroacetic acid; With potassium carbonate; In methanol; at 20 ℃; for 4.5h;
DOI:10.1016/j.orgel.2016.07.003

Reference yield: 56.0%

: 75-15-0,12122-00-8
carbon disulfide

: 3926-62-3
sodium monochloroacetic acid

: 109-73-9,85404-21-3
N-butylamine

: 21494-64-4
NSC-190633

Guidance literature:: carbon disulfide; N-butylamine; With triethylamine; In ethanol; at 0 ℃; for 0.5h;

sodium monochloroacetic acid; In water; at 20 ℃;

With hydrogenchloride; In water; for 0.0833333h;
DOI:10.1016/j.bioorg.2020.104124