33682-80-3

Basic information

• Product Name: 1,3,4-Thiadiazole-2(3H)-thione, 3-methyl-5-(methylthio)-
• CAS NO: 33682-80-3
• Molecular Formula: C4H6N2S3
• Molecular Weight: 178.303
• Mol File: 33682-80-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1,3,4-Thiadiazole-2(3H)-thione, 3-methyl-5-(methylthio)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,4-Thiadiazole-2(3H)-thione, 3-methyl-5-(methylthio)-(33682-80-3)
• EPA Substance Registry System: 1,3,4-Thiadiazole-2(3H)-thione, 3-methyl-5-(methylthio)-(33682-80-3)

Safety Data

• Hazardous Substances Data: 33682-80-3(Hazardous Substances Data)

Upstream product

• 75-15-0 carbon disulfide 
• 20184-94-5 N-methyl-hydrazinecarbodithioic acid methyl ester 
• 1226914-63-1 4-chlorobenzyl 2-benzyldithiocarbazate 

Downstream Products

• 41126-47-0 3-methyl-4-phenyl-2-thioxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester 
• 41126-46-9 3-methyl-4-phenyl-2-thioxo-2,3-dihydro-thiazole-5-carboxylic acid methyl ester 

Relevant articles and documents

Unexpected transalkylation on 3-alkyl-2-alkylthio-1,3,4-thiadiazolium-5- thiolates: A computational and experimental mechanistic study

5-Alkylthio-3-methyl-2-thioxo-1,3,4-thiadiazolines have been obtained on heating alkyl 1-methyl-1-hydrazinecarbodithioates with CS2. A DFT-based computational mechanistic study suggests an initial pseudopericyclic [1,4]H shift as a key step, as well as the intermediacy of the otherwise expected isomers 2-alkylthio-3-methyl-1,3,4-thiadiazolium-5-thiolates, from which the final products are formed by stepwise S,S-transalkylation.