1226914-65-3

Basic information

• Product Name: C₁₆H₁₃ClN₂S₃
• CAS NO: 1226914-65-3
• Molecular Weight: 364.944
• Mol File: 1226914-65-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₁₆H₁₃ClN₂S₃(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₆H₁₃ClN₂S₃(1226914-65-3)
• EPA Substance Registry System: C₁₆H₁₃ClN₂S₃(1226914-65-3)

Safety Data

• Hazardous Substances Data: 1226914-65-3(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 

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.