CAS 5331-91-9

5-Chloro-2-mercaptobenzothiazole

Description:

5-Chloro-2-mercaptobenzothiazole (CAS 5331-91-9) is an organic compound that belongs to the class of benzothiazole derivatives. It features a benzothiazole ring system, which is characterized by a fused benzene and thiazole ring, and contains a chlorine atom and a thiol (-SH) group. This compound is typically a solid at room temperature and is known for its pale yellow to light brown appearance. It is soluble in organic solvents but has limited solubility in water. 5-Chloro-2-mercaptobenzothiazole is primarily used as a rubber accelerator and a biocide, particularly in the preservation of materials and in agricultural applications. Its mercapto group contributes to its reactivity, making it useful in various chemical reactions. Additionally, it exhibits antimicrobial properties, which can be beneficial in preventing the growth of bacteria and fungi. However, safety precautions are necessary when handling this compound, as it may pose health risks, including skin and respiratory irritation.

Formula: C₇H₄ClNS₂

InChI: InChI=1S/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)

InChI key: InChIKey=NKYDKCVZNMNZCM-UHFFFAOYSA-N

SMILES: S=C1SC=2C(N1)=CC(Cl)=CC2

Synonyms:

• 2(3H)-Benzothiazolethione, 5-chloro-
• 2(3H)-Benzothiazolethione,4-chloro-(9CI)
• 2-Benzothiazolethiol, 5-chloro-
• 2-Mercapto-5-Chloro Benzothiazole
• 2-Mercapto-5-chlorobenzothiazole
• 5-Chloro-1,3-benzothiazole-2-thiol
• 5-Chloro-2(3H)-benzothiazolethione
• 5-Chloro-2-benzothiazolethiol
• 5-Chloro-2-mercaptobenzo[d]thiazole
• 5-Chloro-2-mercaptobenzthiazol
• 5-Chlorobenzothiazoline-2-thione
• 5-chloro-1,3-benzothiazole-2(3H)-thione
• NSC 3934
• SH-Benzothiazole

5-Chloro-2-mercaptobenzothiazole

CAS: 5331-91-9

Formula: C₇H₄ClNS₂

Purity: >96.0%(T)

Color and Shape: White to Yellow to Green powder to crystal

Molecular weight: 201.69

Ref: 3B-C1297

5-Chloro-2-mercaptobenzothiazole, 98%

CAS: 5331-91-9

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₇H₄ClNS₂

Purity: 98%

Color and Shape: Pale cream to cream, Powder

Molecular weight: 201.69

Ref: 02-A16747

5-Chloro-1,3-benzothiazole-2-thiol

CAS: 5331-91-9

Formula: C₇H₄ClNS₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 201.6964

Ref: IN-DA003MN0

5-Chloro-2-mercaptobenzothiazole

CAS: 5331-91-9

Formula: C₇H₄ClNS₂

Molecular weight: 201.70

Ref: 7W-GK0430

5-Chloro-2-Mercaptobenzothiazole

CAS: 5331-91-9

5-Chloro-2-Mercaptobenzothiazole

Purity: 99%

Molecular weight: 201.70g/mol

Ref: 54-OR1011848

5-Chlorobenzo[d]thiazole-2-thiol

CAS: 5331-91-9

Formula: C₇H₄ClNS₂

Purity: 98%

Molecular weight: 201.69

Ref: 10-F238987

5-Chloro-2-mercaptobenzothiazole

CAS: 5331-91-9

5-Chloro-2-mercaptobenzothiazole (5CMB) is a thione that binds to hydrogen fluoride (HF) and sodium salts. 5CMB has been used in the synthesis of fluorinated drugs, such as 5-chloro-2-(4'-fluorophenylsulfonyl)benzothiazole, which is used for the treatment of cancer. 5CMB has also been shown to be a potential drug candidate for the treatment of Alzheimer's disease. The structure of 5CMB can be determined using crystallography techniques. Its binding constants with HF and sodium salts can be determined using matrix-assisted laser desorption ionization mass spectrometry (MALDI MS). The toxicity studies of 5CMB have been conducted on animals including mice and rats. These studies show that the LD50 value for 5CMB is 3200 mg/kg bodyweight.

Formula: C₇H₄ClNS₂

Purity: Min. 98 Area-%

Color and Shape: Powder

Molecular weight: 201.7 g/mol

Ref: 3D-FC15213