2-Aminobenzo[d]thiazole-5-carbonitrile

Base Information

• Chemical Name: 2-Aminobenzo[d]thiazole-5-carbonitrile
• CAS No.: 105314-08-7
• Molecular Formula: C₈H₅N₃S
• Molecular Weight: 175.214
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID40356295
• Nikkaji Number: J3.442.457H
• Wikidata: Q72435045
• Mol file: 105314-08-7.mol

Synonyms:2-Aminobenzo[d]thiazole-5-carbonitrile;105314-08-7;2-amino-1,3-benzothiazole-5-carbonitrile;2-AMINO-5-CYANOBENZOTHIAZOLE;5-Benzothiazolecarbonitrile,2-amino-(9CI);2-aminobenzothiazole-5-carbonitrile;5-Benzothiazolecarbonitrile, 2-amino-;SCHEMBL9808445;DTXSID40356295;5-Benzothiazolecarbonitrile,2-aMino-;MFCD05664565;AKOS006343537;AC-25112;AM802873;CS-0005568;A896040;AR-009/42290066

Chemical Property of 2-Aminobenzo[d]thiazole-5-carbonitrile

Chemical Property:

• Boiling Point: 399.7 °C at 760 mmHg
• Flash Point: 195.5 °C
• PSA: 90.94000
• Density: 1.45 g/cm³
• LogP: 2.33138
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 175.02041835
• Heavy Atom Count: 12
• Complexity: 222

Purity/Quality:

97% ^*data from raw suppliers

2-Aminobenzo[d]thiazole-5-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C#N)N=C(S2)N

Technology Process of 2-Aminobenzo[d]thiazole-5-carbonitrile

There total 3 articles about 2-Aminobenzo[d]thiazole-5-carbonitrile 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:

C11H6N3S(1+) → 2-amino-5-cyanobenzothiazole (105314-08-7)

Guidance literature:

With piperidine; In acetonitrile; at 70 ℃; for 3h; Inert atmosphere;

DOI:10.1002/chem.201406398

Reference yield:

4-cyanophenyl-2-pyrimidinylthioether → 2-amino-5-cyanobenzothiazole (105314-08-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; trifluorormethanesulfonic acid; lithium perchlorate / acetonitrile / 20 °C / Inert atmosphere; Electrolysis

2: piperidine / acetonitrile / 3 h / 70 °C / Inert atmosphere

With piperidine; trifluorormethanesulfonic acid; lithium perchlorate; potassium carbonate; In acetonitrile;

DOI:10.1002/chem.201406398

Reference yield:

4-cyanobenzenethiol (36801-01-1) → 2-amino-5-cyanobenzothiazole (105314-08-7)

Guidance literature:

Multi-step reaction with 3 steps

1: water / 24 h / 100 °C / Inert atmosphere

2: potassium carbonate; trifluorormethanesulfonic acid; lithium perchlorate / acetonitrile / 20 °C / Inert atmosphere; Electrolysis

3: piperidine / acetonitrile / 3 h / 70 °C / Inert atmosphere

With piperidine; trifluorormethanesulfonic acid; lithium perchlorate; potassium carbonate; In water; acetonitrile;

DOI:10.1002/chem.201406398

upstream raw materials:

4-cyanobenzenethiol