6-Fluoro-2-mercaptobenzothiazole

Basic Information

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CAS Number

8006-85-7

Molecular Formula

C7H4FNS2

Molecular Weight

185.24 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

SMILES

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S1C(NC2C=CC(=CC1=2)F)=S

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

3.0979900000000002

Topological Polar Surface Area

15.79 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

185

Synonyms & References

English

Horsemint Oil
Horsemint Leaves Extract
Melissa Oil
OILS, HORSEMINT
6-Fluoro-2-mercaptobenzothiazole
6-Fluorobenzo[d]thiazole-2(3H)-thione
6-Fluoro-benzothiazole-2-thiol
6-fluoro-3H-1,3-benzothiazole-2-thione
6-Fluoro-1,3-benzothiazole-2-thiol
6-fluorobenzothiazole-2-thiol
6-fluorobenzo[d]thiazole-2-thiol
6-fluoro-2,3-dihydro-1,3-benzothiazole-2-thione
2(3H)-Benzothiazolethione,6-fluoro-
PubChem21868
SBB090305
6-Fluoro-2-
Oils, horsemint
HORSEMINT LEAVES EXTRACT (MONARDA SPP.)
Melissa Type
Oils,horsemin

FAQ

What are the physical and chemical properties of 6-Fluoro-2-mercaptobenzothiazole (CAS: 8006-85-7)?

6-Fluoro-2-mercaptobenzothiazole is a crystalline solid with a molecular weight of approximately 218.04 g/mol. It is soluble in organic solvents such as ethanol and acetone but has low water solubility. Chemically, it is a thiazole derivative with a fluoro group and a mercapto group, which makes it reactive towards electrophiles. It is used in the synthesis of pharmaceuticals and as a stabilizer in various applications.

How is 6-Fluoro-2-mercaptobenzothiazole (CAS: 8006-85-7) typically synthesized?

6-Fluoro-2-mercaptobenzothiazole can be synthesized via the Friedel-Crafts alkylation of benzothiazole with fluoroacetic acid, followed by reduction of the acetylation group. Commonly, this involves the use of metallic sodium in liquid ammonia as a reducing agent. The yield is typically high, around 90%, and the method ensures good selectivity and reactivity.

What industries use 6-Fluoro-2-mercaptobenzothiazole (CAS: 8006-85-7)?

6-Fluoro-2-mercaptobenzothiazole is primarily used in the pharmaceutical industry for the synthesis of certain drugs, particularly anti-tumor agents and cardiovascular medications. It is also utilized in the polymer industry as a stabilizer and in the development of sensors and semiconductor materials.

What precautions should be taken when handling 6-Fluoro-2-mercaptobenzothiazole (CAS: 8006-85-7)?

When handling 6-Fluoro-2-mercaptobenzothiazole, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. It should be handled in a well-ventilated area or under a fume hood to prevent inhalation of the vapor. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling and disposal guidelines.