2-Benzothiazoleethanethioamide

Base Information

• Chemical Name: 2-Benzothiazoleethanethioamide
• CAS No.: 190365-96-9
• Molecular Formula: C9H8 N2 S2
• Molecular Weight: 208.3
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID40351447
• Nikkaji Number: J911.598F
• Wikidata: Q82127869
• Mol file: 190365-96-9.mol

Synonyms:190365-96-9;2-Benzothiazoleethanethioamide;2-(1,3-benzothiazol-2-yl)ethanethioamide;2-Benzothiazoleethanethioamide(9CI);2-(benzo[d]thiazol-2-yl)ethanethioamide;benzothiazol-2-ylthioacetamide;SCHEMBL5401256;DTXSID40351447;HMS1748J07;AKOS001074997;CS-0232767;EN300-12857;Z85923144

Chemical Property of 2-Benzothiazoleethanethioamide

Chemical Property:

• PSA: 103.78000
• LogP: 2.84560
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 208.01289061
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

2-Benzothiazol-2-yl-thioacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)CC(=S)N

Technology Process of 2-Benzothiazoleethanethioamide

There total 5 articles about 2-Benzothiazoleethanethioamide 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: 89.0%

2-cyanomethylbenzothiazole (56278-50-3) → 2-(1,3-benzothiazol-2-yl)ethanethioamide (190365-96-9)

Guidance literature:

With hydrogen sulfide; sodium methylate; In isopropyl alcohol; at 60 ℃; for 3h;

DOI:10.1515/znb-1997-0304

Reference yield: 75.0%

2-cyanomethylbenzothiazole (56278-50-3) + thioacetamide (62-55-5) → 2-(1,3-benzothiazol-2-yl)ethanethioamide (190365-96-9)

Guidance literature:

With hydrogenchloride; In N,N-dimethyl-formamide; at 90 - 100 ℃; for 2h;

DOI:10.1080/10426500802590244

Reference yield:

2-(1,3-benzothiazol-2-yl)ethanamide (51542-41-7) → 2-(1,3-benzothiazol-2-yl)ethanethioamide (190365-96-9)

Guidance literature:

With Lawessons reagent; In toluene; for 2h; Heating;

DOI:10.1021/jo025696o

upstream raw materials:

2-cyanomethylbenzothiazole

2-(1,3-benzothiazol-2-yl)ethanamide

ethyl 2-(2-benzothiazolyl)acetate

2-amino-benzenethiol

Downstream raw materials:

2-amino-5-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-6-thiono-1,6-dihydropyridine-3-carbonitrile

2-amino-5-(1,3-benzothiazol-2-yl)-4-phenyl-6-thiono-1,6-dihydropyridine-3-carbonitrile

2-amino-5-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-6-thiono-1,6-dihydropyridine-3-carbonitrile

(E)-2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enethioamide