S-(2-acetamidoethyl) benzenecarbothioate

Base Information

Chemical Name:S-(2-acetamidoethyl) benzenecarbothioate
CAS No.:91133-15-2
Molecular Formula:C11H13NO2S
Molecular Weight:223.296
Hs Code.:
NSC Number:134459
DSSTox Substance ID:DTXSID50300042
Nikkaji Number:J1.434.750J
Wikidata:Q82042817
ChEMBL ID:CHEMBL1971917
Mol file:91133-15-2.mol

Synonyms:91133-15-2;S-(2-acetamidoethyl) benzenecarbothioate;NSC134459;S-benzoyl-N-acetyl-cysteamine;SCHEMBL9319940;CHEMBL1971917;DTXSID50300042;Acetamide, benzoate (6CI, 7CI);NSC-134459;FT-0726800;Benzenecarbothioic acid,S-[2-(acetylamino)ethyl] ester

Suppliers and Price of S-(2-acetamidoethyl) benzenecarbothioate

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
N-(2-MERCAPTOETHYL)-ACETAMIDE BENZOATE 95.00%
5MG
$ 502.69

Total 6 raw suppliers

Chemical Property of S-(2-acetamidoethyl) benzenecarbothioate

Chemical Property:

Vapor Pressure:5.85E-07mmHg at 25°C
Boiling Point:410.8°C at 760 mmHg
Flash Point:202.3°C
PSA：71.47000
Density:1.172g/cm³
LogP:2.08700
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:223.06669983
Heavy Atom Count:15
Complexity:225

Purity/Quality:

97% ^*data from raw suppliers

N-(2-MERCAPTOETHYL)-ACETAMIDE BENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)NCCSC(=O)C1=CC=CC=C1

Technology Process of S-(2-acetamidoethyl) benzenecarbothioate

There total 4 articles about S-(2-acetamidoethyl) benzenecarbothioate 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: 88.0%

: 1190-73-4
2-(acetylamino)ethanethiol

: 65-85-0,8013-63-6
benzoic acid

: 91133-15-2
Benzoyl-N-acetylcysteamine-thioester

Guidance literature:: benzoic acid; With diphenyl phosphoryl azide; triethylamine; In N,N-dimethyl-formamide; at 0 ℃; for 2h;

2-(acetylamino)ethanethiol; In N,N-dimethyl-formamide; for 2h;
DOI:10.1021/ol4014365