5-Chloro-2-mercaptobenzothiazole

CAS: 5331-91-9

Ref. 3D-FC15213

Product Information

• Name: 5-Chloro-2-mercaptobenzothiazole
• 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
• CAS: 5331-91-9

Description

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.

• Brand: Biosynth

Chemical properties

• Molecular weight: 201.7 g/mol
• Formula: C₇H₄ClNS₂
• Purity: Min. 98 Area-%
• Color/Form: Powder
• 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=c1[nH]c2cc(Cl)ccc2s1