4-(2-Benzothiazol-2-ylthio)aniline

Base Information

• Chemical Name: 4-(2-Benzothiazol-2-ylthio)aniline
• CAS No.: 25712-17-8
• Molecular Formula: C13H10 N2 S2
• Molecular Weight: 258.368
• European Community (EC) Number: 247-204-8
• DSSTox Substance ID: DTXSID20948591
• Nikkaji Number: J287.306K
• Wikidata: Q82926415

Synonyms:25712-17-8;4-(2-Benzothiazol-2-ylthio)aniline;4-(Benzo[d]Thiazol-2-ylthio)aniline;4-(benzothiazol-2-yl-sulfanyl)phenylamine;4-(Benzothiazol-2-ylsulfanyl)phenylamine;4-(1,3-benzothiazol-2-ylsulfanyl)aniline;4-(Benzothiazol-2-ylsulfanyl)-phenylamine;EINECS 247-204-8;ChemDiv2_003385;Methyl4-chlorophenylacetate;SCHEMBL8563621;4-(2-Benzothiazolylthio)aniline;DTXSID20948591;HMS1378J19;2-(4-Aminophenylthio)benzothiazole;4-(Benzothiazole-2-ylthio)aniline;4-(2-Benzothiazolylthio)benzenamine;2-[(4-Aminophenyl)thio]benzothiazole;AKOS000215387;C13-H10-N2-S2;CCG-103338;EU-0067027;4-[(1,3-Benzothiazol-2-yl)sulfanyl]aniline;SR-01000391075;SR-01000391075-1

Chemical Property of 4-(2-Benzothiazol-2-ylthio)aniline

Chemical Property:

• Vapor Pressure: 4.06E-09mmHg at 25°C
• Boiling Point: 473.1°C at 760 mmHg
• Flash Point: 239.9°C
• Density: 1.39g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 258.02854067
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)SC3=CC=C(C=C3)N

Technology Process of 4-(2-Benzothiazol-2-ylthio)aniline

There total 11 articles about 4-(2-Benzothiazol-2-ylthio)aniline 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: 95.0%

di(benzothiazol-2-yl)disulfide (120-78-5) + p-aminoiodobenzene (540-37-4) → 4-(benzo[d]thiazol-2-ylthio)benzenamine (25712-17-8)

Guidance literature:

With potassium carbonate; In water; at 100 ℃; for 2h; Green chemistry;

DOI:10.1007/s10562-021-03908-x

Reference yield: 90.0%

di(benzothiazol-2-yl)disulfide (120-78-5) + 4-bromo-aniline (106-40-1) → 4-(benzo[d]thiazol-2-ylthio)benzenamine (25712-17-8)

Guidance literature:

With tetra(n-butyl)ammonium hydroxide; In water; N,N-dimethyl-formamide; at 80 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1039/d0ra00719f

Reference yield: 89.0%

2-chlorobenzo[d][1,3]thiazole (615-20-3) + 4-aminotiophenol (1193-02-8) → 4-(benzo[d]thiazol-2-ylthio)benzenamine (25712-17-8)

Guidance literature:

With potassium carbonate; In ethanol; for 18h;

DOI:10.1021/acs.jmedchem.8b01293

upstream raw materials:

N-(4-(benzo[d]thiazol-2-ylthio)phenyl)acetamide

2-chlorobenzo[d][1,3]thiazole

4-acetamidothiophenol

4-aminotiophenol

Downstream raw materials:

4-(benzothiazol-2-ylsulfanyl)phenol

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