4-Amino-3-mercaptobenzonitrile

Base Information

Chemical Name:4-Amino-3-mercaptobenzonitrile
CAS No.:174658-22-1
Molecular Formula:C7H6N2S
Molecular Weight:150.204
Hs Code.:
European Community (EC) Number:834-325-1
DSSTox Substance ID:DTXSID80573904
Wikidata:Q72438587
Mol file:174658-22-1.mol

Synonyms:4-Amino-3-mercaptobenzonitrile;174658-22-1;4-amino-3-sulfanylbenzonitrile;Benzonitrile, 4-amino-3-mercapto-;Benzonitrile, 4-amino-3-mercapto- (9CI);SCHEMBL1743125;DTXSID80573904;MXDAYVCCPKGPOE-UHFFFAOYSA-N;AT19654;SB76733;Benzonitrile,4-amino-3-mercapto-(9ci);EN300-126642

Suppliers and Price of 4-Amino-3-mercaptobenzonitrile

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

Crysdot
4-Amino-3-mercaptobenzonitrile 95+%
1g
$ 972.00

Chemenu
4-Amino-3-mercaptobenzonitrile 95%
1g
$ 916.00

American Custom Chemicals Corporation
4-AMINO-3-MERCAPTOBENZONITRILE 95.00%
5MG
$ 499.63

Alichem
4-Amino-3-mercaptobenzonitrile
1g
$ 1009.40

Total 2 raw suppliers

Chemical Property of 4-Amino-3-mercaptobenzonitrile

Chemical Property:

PSA：88.61000
Density:1.27
LogP:2.01038
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:150.02516937
Heavy Atom Count:10
Complexity:160

Purity/Quality:: 4-Amino-3-mercaptobenzonitrile 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C#N)S)N

Technology Process of 4-Amino-3-mercaptobenzonitrile

There total 3 articles about 4-Amino-3-mercaptobenzonitrile 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: 93.7%

: 58249-61-9
6-cyano benzothiazole

: 174658-22-1
4-amino-3-mercaptobenzonitrile

Guidance literature:: With ethylenediamine; In glycerol; at 90 ℃; for 0.25h; Inert atmosphere;
DOI:10.1016/j.bioorg.2019.103537

Reference yield:

: 19759-66-1
2-amino-6-cyanobenzthiazole

: 174658-22-1
4-amino-3-mercaptobenzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 51 percent / isoamyl nitrile / tetrahydrofuran / 0.5 h / Heating

2: NH₂NH₂*H₂O / ethanol / 1 h / 80 °C

With Isovaleronitrile; hydrazine hydrate; In tetrahydrofuran; ethanol;
DOI:10.1248/cpb.46.623

Reference yield:

: 873-74-5
4-Aminobenzonitrile

: 174658-22-1
4-amino-3-mercaptobenzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: 59 percent / Br₂ / acetic acid / 3 h / 100 °C

2: 51 percent / isoamyl nitrile / tetrahydrofuran / 0.5 h / Heating

3: NH₂NH₂*H₂O / ethanol / 1 h / 80 °C

With Isovaleronitrile; bromine; hydrazine hydrate; In tetrahydrofuran; ethanol; acetic acid;
DOI:10.1248/cpb.46.623