6-Fluoro-1,3-benzothiazole-2(3H)-thione

Basic Information

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CAS Number

80087-71-4

Molecular Formula

C7H4FNS2

Molecular Weight

185.25 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

227-228 ºC (ethyl acetate ligroine )

Boiling Point

304.4°C at 760 mmHg

Density

1.55±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

137.9 °C

SMILES

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C1=CC2=C(C=C1F)SC(=S)N2

InChI

InChI=1S/C7H4FNS2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)

InChIKey

XDZVUKOOUHIRKY-UHFFFAOYSA-N

LogP

2.7241

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

185

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

AKOS016002615
6-fluorobenzothiazole-2-thiol
6-Fluorobenzo[d]thiazole-2(3H)-thione
SCHEMBL1304466
6-Fluoro-benzothiazole-2-thiol
6-fluoro-3H-1,3-benzothiazole-2-thione;6-Fluorobenzo[d]thiazole-2(3H)-thione
PS-6527
6-fluoro-2,3-dihydro-1,3-benzothiazole-2-thione
A839832
6-Fluoro-2-mercaptobenzothiazole
6-fluoro-3H-1,3-benzothiazole-2-thione
CS-0043029
AKOS006230599
Z1201620440
DTXSID10372008
SY211102
MFCD00665747
F15019
6-fluorobenzo[d]thiazole-2-thiol
EN300-383981
80087-71-4
6-Fluoro-2-sulphanyl-1,3-benzothiazole
6-Fluoro-1,3-benzothiazole-2-thiol
FT-0688534
XDZVUKOOUHIRKY-UHFFFAOYSA-N
2(3H)-Benzothiazolethione,6-fluoro-
6-FLUORO-2-MERCAPTOBENZOTHIAZOLE
PubChem21868
SBB090305

MDL Number

MFCD00665747

Customs Code

2934200090

FAQ

What regulatory guidelines apply to 6-Fluoro-1,3-benzothiazole-2(3H)-thione (CAS: 80087-71-4)?

6-Fluoro-1,3-benzothiazole-2(3H)-thione (CAS: 80087-71-4) falls under the regulatory guidelines set by the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in Europe, and FDA/EPA for handling and use. Companies should ensure proper labeling, storage, and disposal as per these guidelines to comply with local and international regulations.

Are there alternatives to 6-Fluoro-1,3-benzothiazole-2(3H)-thione (CAS: 80087-71-4) in synthesis?

Several alternatives to 6-Fluoro-1,3-benzothiazole-2(3H)-thione (CAS: 80087-71-4) exist in synthesis, including related benzothiazoles with different substituents. For instance, 6-methyl-1,3-benzothiazole-2(3H)-thione or 6-ethyl-1,3-benzothiazole-2(3H)-thione can be used as substitutes depending on the desired properties and the reaction conditions.

What is the market or research trend for 6-Fluoro-1,3-benzothiazole-2(3H)-thione (CAS: 80087-71-4)?

The market for 6-Fluoro-1,3-benzothiazole-2(3H)-thione (CAS: 80087-71-4) is growing due to its applications in pharmaceuticals and agrochemicals. Research trends are focusing on its potential as a bioisostere in drug design and as a fungicide. The demand is driven by increasing drug discovery efforts and the need for more effective agricultural chemicals.

How should waste containing 6-Fluoro-1,3-benzothiazole-2(3H)-thione (CAS: 80087-71-4) be handled?

Waste containing 6-Fluoro-1,3-benzothiazole-2(3H)-thione (CAS: 80087-71-4) should be collected in leak-proof containers and stored in a well-ventilated area. It should be disposed of through professional waste disposal services that comply with environmental regulations. Proper incineration or chemical detoxification methods should be employed to ensure safe disposal and minimize environmental impact.