2(3H)-Benzothiazolone

Base Information

• Chemical Name: 2(3H)-Benzothiazolone
• CAS No.: 934-34-9
• Deprecated CAS: 4464-59-9,60362-05-2,92353-21-4,60362-05-2,92353-21-4
• Molecular Formula: C7H5NOS
• Molecular Weight: 151.189
• Hs Code.: 29061990
• European Community (EC) Number: 213-281-1
• NSC Number: 33823,26422,7706
• UNII: 7T26K7NG46
• DSSTox Substance ID: DTXSID6061315
• Nikkaji Number: J24.621B
• Wikidata: Q27197041
• Metabolomics Workbench ID: 66886
• ChEMBL ID: CHEMBL276936
• Mol file: 934-34-9.mol

Synonyms:Benzothiazolone;934-34-9;2-Benzothiazolol;2-HYDROXYBENZOTHIAZOLE;2(3H)-Benzothiazolone;1,3-Benzothiazol-2-ol;2-Benzothiazolone;benzothiazolol;2-Benzothiazolinone;3H-Benzothiazol-2-one;benzo[d]thiazol-2(3H)-one;3H-1,3-benzothiazol-2-one;benzothiazol-2-ol;1,3-Benzothiazol-2(3H)-one;Benzothiazol-2(3H)-one;2-oxobenzothiazole;74343-69-4;MFCD00022868;2-hydroxy-1,3-benzothiazole;MLS000737673;CHEBI:115196;NSC 7706;NSC-7706;UNII-7T26K7NG46;7T26K7NG46;EINECS 213-281-1;NSC 26422;NSC 33823;NSC-26422;NSC-33823;SMR000112468;AI3-24484;(2-mercatophenyl)carbamothioic acid gamma-lactone;Carbamothioic acid, (2-mercatophenyl)-, gamma-lactone;Carbamothioic acid, .gamma.-lactone;hydroxybenzothiazol;OBT;benzthiazolin-2-one;Benzothiazolin-2-one;2,3-dihydro-1,3-benzothiazol-2-one;2-hydroxy-benzothiazole;Benzo[d]thiazol-2-ol;3H-benzothiazole-2-one;Benzothiazol, 2-hydroxy-;HYDROXYBENZOTHIAZOLE;Epitope ID:138948;2-OH-BTH;S-Orthophenylenethiocarbamate;BENZTHIAZOLINE,2-ONE;SCHEMBL54329;cid_13625;MLS000697050;2-Benzothiazolol (keto form);2-Hydroxybenzothiazole, 98%;CHEMBL276936;DTXSID6061315;BDBM93696;NSC7706;HMS1652A15;HMS1661I01;HMS2269D03;1,3-Benzothiazol-2(3H)-one #;AMY15529;NSC26422;NSC33823;STR06157;CCG-51664;GEO-01505;STK089714;STK894866;AKOS000296755;AKOS000638434;CS-W019496;FS-1222;FS-3774;NCGC00246613-01;NCGC00246794-01;SY003005;B2344;FT-0612585;EN300-88615;A19331;F14867;AE-018/31855052;J-640182;J-800183;SR-01000640954-1;W-200528;Q27197041;Z57728688;Carbamothioic acid, (2-mercatophenyl)-, .gamma.-lactone;F0918-5160;CGD

Chemical Property of 2(3H)-Benzothiazolone

Chemical Property:

• Appearance/Colour: off-white to light brown crystalline powder
• Vapor Pressure: 1.1E-05mmHg at 25°C
• Melting Point: 137-140 °C(lit.)
• Refractive Index: 1.66
• Boiling Point: 360 °C at 760 mmHg
• PKA: 10.41±0.20(Predicted)
• Flash Point: 171.5 °C
• PSA: 61.36000
• Density: 1.367 g/cm³
• LogP: 2.00190
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly, Sonicated), DMSO (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 151.00918496
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

2(3H)-Benzothiazolone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=O)S2
• Uses: 2-Hydroxybenzothiazole may be employed as carbon, nitrogen and energy supplement in the bacterial cultures. It may be used in the preparation of insulating thin polymer (<0.1μm), via electropolymerization.

Technology Process of 2(3H)-Benzothiazolone

There total 189 articles about 2(3H)-Benzothiazolone 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: 100.0%

1,3-Benzothiazole (95-16-9) → 2(3H)-Benzothiazolone (934-34-9)

Guidance literature:

With copper dichloride; sodium t-butanolate; In N,N-dimethyl-formamide; at 25 ℃; for 0.0833333h;

DOI:10.1002/anie.201200750

Reference yield: 98.0%

carbon dioxide (124-38-9,18923-20-1) + 2-Aminophenyl disulfide (1141-88-4) → 2(3H)-Benzothiazolone (934-34-9)

Guidance literature:

With sodium hydrogen sulfide; In 1-methyl-pyrrolidin-2-one; at 70 ℃; for 24h; under 22502.3 Torr;

Reference yield: 97.0%

carbon oxide sulfide (463-58-1) + 2-Aminophenyl disulfide (1141-88-4) → 2(3H)-Benzothiazolone (934-34-9)

Guidance literature:

With sodiumsulfide nonahydrate; In N,N-dimethyl-formamide; at 25 ℃; for 1.5h; under 3750.38 Torr; Reagent/catalyst; Solvent; Temperature; Autoclave;

upstream raw materials:

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

2-thioxo-3H-1,3-benzothiazole

2-ethoxy-1,3-benzothiazole

acetic acid

Downstream raw materials:

6-nitro-2(3H)-benzothiazolone

3-acetyl-2(3H)-benzothiazolone

3-benzylbenzo[d]thiazol-2(3H)-one

N-Propargyl-2-benzothiazolon

Refernces

• 1、 -. "Synthesis method of benzothiazolone compound". Paragraph 0018-0026. . Retrieved 2021/11/03.
• 2、 -. "Method for preparing pesticide mefenacet from benzothiazolone and 2-halo-N-methyl-N-phenylacetamide". Paragraph 0023-0025. . Retrieved 2020/07/13.