52112-81-9

Basic information

• Product Name: Benzamide, N-[[(6-methyl-2-benzothiazolyl)amino]thioxomethyl]-
• CAS NO: 52112-81-9
• Molecular Formula: C16H13N3OS2
• Molecular Weight: 327.431
• Mol File: 52112-81-9.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: Benzamide, N-[[(6-methyl-2-benzothiazolyl)amino]thioxomethyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzamide, N-[[(6-methyl-2-benzothiazolyl)amino]thioxomethyl]-(52112-81-9)
• EPA Substance Registry System: Benzamide, N-[[(6-methyl-2-benzothiazolyl)amino]thioxomethyl]-(52112-81-9)

Safety Data

• Hazardous Substances Data: 52112-81-9(Hazardous Substances Data)

Upstream product

• 106-49-0 p-toluidine 
• 98-88-4 benzoyl chloride 
• 2536-91-6 6-methylbenzothiazol-2-ylamine 
• 532-55-8 Benzoyl isothiocyanate 

Downstream Products

• 131120-26-8 N-[6-Methyl-benzo[4,5]thiazolo[3,2-b][1,2,4]thiadiazol-(2Z)-ylidene]-benzamide 
• 52112-82-0 1-<2-(6-methyl)benzothiazolyl>thiocaarbamide 

Relevant articles and documents

Design, synthesis, and molecular docking study of benzothiazolotriazine derivatives for anticonvulsant potential

A series of newer benzothiazolotriazine derivatives (4a–k) was designed, synthesized, and characterized as anticonvulsant agents against the two classically used MES and scPTZ animal models. The synthesized derivatives were tested in vivo in both the animal models, followed by a neurotoxicity study by the rotarod method. Compound 4e, 8-chloro-4-(2-chlorocyclohexa-1,5-dien-1-yl)-2-((4-methoxybenzyl)thio)-10aH-benzo[4,5]thiazolo[3,2a][1,3,5]triazine was found most promising among the series in both the animal models, with no neurotoxicity. From this it may be confirmed that the presence of a methoxy (OCH3) group at the lipophilic aryl ring was showing high anticonvulsant potency. In the molecular modeling study, compound 4e (docking score = ?8.70) showed important hydrogen bond interaction with the amino acids LYS 329, SER 137, GLY 136 and π–π interactions with PHE 189 at the active site of GABA-AT. These derivatives can be further explored for the development of newer/novel anticonvulsant agents.

Synthesis and biological activity of some 3-arylimino-5-[2-(6-methyl)benzothiazolyl]imino-1,2,4-dithiazolidines

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Synthesis of 5-Substituted-benzothiazolylimino-3-arylimino-1,2,4-dithiazolidines

A simple and convenient synthesis of 5--imino-3-arylimino-1,2,4-dithiazolodines (7a-d) has been achieved by the oxidation and cyclisation of the corresponding 1--5-aryl-2-S-allyliso-2,4-dithiobiurets (6a-d), which in turn were prepared by the condensation of 1--2-S-allylisothiocarbamide (5) with appropriate aryl isothiocyanate.The compounds have been characterised by their synthesis through alternative routes, elemental analyses, and also by ir and pmr spectra.