5-Bromo-1,3-benzothiazole-2(3H)-thione

Basic Information

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CAS Number

71216-20-1

Molecular Formula

C7H4BrNS2

Molecular Weight

246.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

198-200 °C

Boiling Point

351.2°C at 760 mmHg

Density

1.93

Flash Point

166.2 ºC

Refractive Index

1.827

SMILES

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C1=CC2=C(C=C1Br)NC(=S)S2

InChI

InChI=1S/C7H4BrNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)

InChIKey

OKHQGCOLOHTELL-UHFFFAOYSA-N

LogP

3.3475000000000006

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

185

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

AMY1664
DTXSID00402949
AKOS015834695
5-bromobenzo[d]thiazole-2-thiol
DS-2270
5-bromo-2,3-dihydro-1,3-benzothiazole-2-thione
F14974
2(3H)-BENZOTHIAZOLETHIONE, 5-BROMO-
5-Bromo-2-mercapto benzothiazole
SCHEMBL1850412
5-BROMO-2-THIOBENZOTHIAZOLE
FT-0647673
71216-20-1
CS-0041479
5-Bromobenzo[d]thiazole-2(3H)-thione
MFCD08460052
OKHQGCOLOHTELL-UHFFFAOYSA-N
5-Bromo-2-mercaptobenzothiazole
AKOS015904175
5-bromo-1,3-benzothiazole-2-thiol
AC-23452
2(3H)-Benzothiazolethione,5-bromo-
5-bromo-3H-1,3-benzothiazole-2-thione
5-bromo-benzothiazole-2-thiol
2,5-Dichlorobenzoyl cyanide
2-METCAPTO-5-CHLORO-BENZOTHIAZOLE
2-MERCAPTO-5-CHLOROBENZOXAZOLE
5-CHLORO-BENZOTHIAZOLE-2-THIOL
5-CHLORO-1,3-BENZOTHIAZOLE-2-THIOL
TIMTEC-BB SBB005398
5-BROMO-2-MERCAPTO BENZOTHLAZOLE

MDL Number

MFCD08460052

Customs Code

2934200090

FAQ

What regulatory guidelines apply to 5-Bromo-1,3-benzothiazole-2(3H)-thione (CAS: 71216-20-1)?

5-Bromo-1,3-benzothiazole-2(3H)-thione (CAS: 71216-20-1) is classified as a hazardous chemical under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). It is regulated under REACH in the EU, requiring registration if manufactured or imported in quantities above 1 tonne annually. Additionally, it is subject to FDA and EPA regulations for use in the United States, ensuring environmental safety and proper handling. Compliance with specific safety data sheets (SDS) and labels is mandatory for handling and storage.

Are there alternatives to 5-Bromo-1,3-benzothiazole-2(3H)-thione (CAS: 71216-20-1) in synthesis?

For synthesis purposes, alternative reagents such as 2-bromo-1,3-benzothiazole can be considered. These alternatives offer similar functional groups for substitution, providing flexibility in chemical synthesis. Other substitutes include 1,3-benzothiazol-2(3H)-thione without bromine, which can be brominated selectively in further steps. These alternatives help in reducing the environmental impact and handling complexities associated with bromine-containing compounds.

What is the market or research trend for 5-Bromo-1,3-benzothiazole-2(3H)-thione (CAS: 71216-20-1)?

The market for 5-Bromo-1,3-benzothiazole-2(3H)-thione (CAS: 71216-20-1) is influenced by its applications in pharmaceuticals, particularly in the development of antifungal and anti-inflammatory agents. Research trends indicate a growing interest in its synthesis due to its unique chemical properties. Recent studies focus on its potential as a building block for new drug candidates, with increasing demand from the pharmaceutical and chemical industries. The development of safer and more efficient synthesis methods is also a key area of interest.

How should waste containing 5-Bromo-1,3-benzothiazole-2(3H)-thione (CAS: 71216-20-1) be handled?

Waste containing 5-Bromo-1,3-benzothiazole-2(3H)-thione (CAS: 71216-20-1) should be managed according to hazardous waste regulations. Proper waste collection methods should be followed, ensuring that waste is stored in leak-proof containers and labeled appropriately. Disposal should be done through licensed waste management facilities, preferably by incineration or chemical detoxification under controlled conditions. Environmental precautions include ensuring no release into the environment and adherence to local and international environmental protection standards. Compliance with local waste management guidelines and regulations is essential to prevent any environmental contamination.