2-Mercaptobenzo[d]thiazol-6-ol

Basic Information

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CAS Number

74537-63-6

Molecular Formula

C7H5NOS2

Molecular Weight

183.26 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

Basic Physical Properties

SMILES

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C1=CC2=C(C=C1O)SC(=S)N2

InChI

InChI=1S/C7H5NOS2/c9-4-1-2-5-6(3-4)11-7(10)8-5/h1-3,9H,(H,8,10)

InChIKey

SZNXHOMOAFJDRV-UHFFFAOYSA-N

LogP

2.2905999999999995

Topological Polar Surface Area

33.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

185

Synonyms & References

English

2-mercaptobenzo[d]thiazol-6-ol
CS-W004454
CHEMBL2398102
6-Hydroxybenzo[d]thiazole-2(3H)-thione
DS-10094
6-Hydroxy-2-mercaptobenzothiazole
2-Mercapto-1,3-benzothiazol-6-ol
A904793
AKOS025404200
SCHEMBL2676185
SZNXHOMOAFJDRV-UHFFFAOYSA-N
2(3H)-Benzothiazolethione,6-hydroxy-(9CI)
2-mercapto-benzothiazol-6-ol
2-Mercaptobenzothiazol-6-ol
MFCD23099217
6-HYDROXY-3H-1,3-BENZOTHIAZOLE-2-THIONE
74537-63-6
2(3H)-Benzothiazolethione-6-hydroxy
2-Sulfanyl-1,3-benzothiazole-6-ol
2(3H)-Benzothiazolethione,6-hydroxy-
2-Mercaptobenzo[d]thiazol-6-ol
6-hydroxy-2-mercapto-benzothiazole

MDL Number

MFCD23099217

FAQ

What are the physical and chemical properties of 2-Mercaptobenzo[d]thiazol-6-ol (CAS: 74537-63-6)?

2-Mercaptobenzo[d]thiazol-6-ol (CAS: 74537-63-6) is a crystalline solid with a molecular weight of approximately 230.23 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. This compound is reactive, particularly towards nucleophiles and reducing agents. It is stable under normal conditions but should be stored in a cool, dry place.

How is 2-Mercaptobenzo[d]thiazol-6-ol (CAS: 74537-63-6) typically synthesized?

2-Mercaptobenzo[d]thiazol-6-ol (CAS: 74537-63-6) can be synthesized through the reaction of 2-mercaptobenzoic acid with benzenethiol in the presence of a suitable base like sodium hydroxide. The reaction involves the condensation of these two thiol-containing compounds, leading to the formation of the target product with good yield and selectivity.

What industries use 2-Mercaptobenzo[d]thiazol-6-ol (CAS: 74537-63-6)?

2-Mercaptobenzo[d]thiazol-6-ol (CAS: 74537-63-6) is primarily used in the pharmaceutical industry for its antimicrobial and antiviral properties. It is also found in polymer chemistry for its thiol-containing functional groups, making it useful in crosslinking reactions. Additionally, it is employed in the development of sensors and as a precursor in semiconductor manufacturing.

What precautions should be taken when handling 2-Mercaptobenzo[d]thiazol-6-ol (CAS: 74537-63-6)?

When handling 2-Mercaptobenzo[d]thiazol-6-ol (CAS: 74537-63-6), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate materials, and the chemical should be stored in a cool, dry place away from strong acids and oxidizing agents. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.