2-Aminobenzo[D]thiazol-5-OL

Base Information

• Chemical Name: 2-Aminobenzo[D]thiazol-5-OL
• CAS No.: 118526-19-5
• Molecular Formula: C7H6 N2 O S
• Molecular Weight: 166.2
• Hs Code.: 2934200090
• European Community (EC) Number: 807-403-8
• DSSTox Substance ID: DTXSID30557198
• Wikidata: Q72437714
• Mol file: 118526-19-5.mol

Synonyms:2-AMINOBENZO[D]THIAZOL-5-OL;118526-19-5;2-Amino-1,3-benzothiazol-5-ol;2-Amino-5-hydroxybenzothiazole;5-Benzothiazolol,2-amino-(9CI);MFCD00985125;5-Benzothiazolol, 2-amino-;2-Amino-5-hydroxy-1,3-benzothiazole;2-amino-benzothiazol-5-ol;SCHEMBL72699;2-Amino-5-hydroxylbenzothiazole;DTXSID30557198;PIERIBXILPXPFL-UHFFFAOYSA-N;AKOS006280745;PS-3998;SB18594;SY068687;CS-0052049;P10163;EN300-1265102;A853384;W-204981;F2167-4054;Z1198155943

Chemical Property of 2-Aminobenzo[D]thiazol-5-OL

Chemical Property:

• Vapor Pressure: 8.61E-07mmHg at 25°C
• Melting Point: 187 °C(Solv: water (7732-18-5))
• Refractive Index: 1.823
• Boiling Point: 394.6°C at 760 mmHg
• PKA: 8.43±0.40(Predicted)
• Flash Point: 192.4°C
• PSA: 87.38000
• Density: 1.553g/cm³
• LogP: 2.16530
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 166.02008399
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

2-Aminobenzo[d]thiazol-5-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1O)N=C(S2)N

Technology Process of 2-Aminobenzo[D]thiazol-5-OL

There total 7 articles about 2-Aminobenzo[D]thiazol-5-OL 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: 78.0%

2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) → 5-hydroxy-1,3-benzothiazol-2-amine (118526-19-5)

Guidance literature:

With dihydrogen peroxide; copper(II) nitrate; In phosphate buffer; acetonitrile; at 50 ℃; for 4h;

DOI:10.1515/HC.2001.7.5.501

Reference yield: 63.0%

2-amino-5-methoxybenzothiazole (54346-87-1) → 5-hydroxy-1,3-benzothiazol-2-amine (118526-19-5)

Guidance literature:

With hydrogen bromide; In water; at 105 ℃; for 10h;

Reference yield: 62.0%

N-(3-hydroxyphenyl)thiourea (3394-05-6) → 5-hydroxy-1,3-benzothiazol-2-amine (118526-19-5)

Guidance literature:

N-(3-hydroxyphenyl)thiourea; With bromine; In chloroform; at 0 - 5 ℃; Reflux;

With ammonia; In water;

DOI:10.1007/s00044-011-9626-0

upstream raw materials:

2-amino-5-methoxybenzothiazole

2-amino-benzthiazole

N-(3-hydroxyphenyl)thiourea

3-aminophenol hydrochloride

Downstream raw materials:

2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol

3-(5-hydroxy-1,3-benzothiazol-2-yl)-2-phenylquinazolin-4(3H)-one

C₂₁H₁₄N₄O₂S