46123-94-8

Basic information

• Product Name: S-(4-bromo-benzyl)-isothiourea
• Synonyms: S-(4-bromo-benzyl)-isothiourea
• CAS NO: 46123-94-8
• Molecular Weight: 245.143
• Mol File: 46123-94-8.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: S-(4-bromo-benzyl)-isothiourea(CAS DataBase Reference)
• NIST Chemistry Reference: S-(4-bromo-benzyl)-isothiourea(46123-94-8)
• EPA Substance Registry System: S-(4-bromo-benzyl)-isothiourea(46123-94-8)

Safety Data

• Hazardous Substances Data: 46123-94-8(Hazardous Substances Data)

Upstream product

• 873-75-6 4-bromobenzenemethanol 
• 17356-08-0 thiourea 
• 589-17-3 p-bromobenzyl chloride 
• 589-15-1 1-bromomethyl-4-bromobenzene 

Downstream Products

• 87231-13-8 1-(4-Bromo-benzylsulfanyl)-1-chloro-propan-2-one 
• 87250-45-1 2-oxo-5-p-bromophenyl-4-thiapentane 
• 19552-10-4 4-bromobenzyl mercaptan 
• 94435-77-5 S-(4-Brom-benzyl)-isothiuroniumsalz d. 3-Hydroxy-undecan-sulfonsaeure-1 

Relevant articles and documents

Structure-activity relationship study of the bacterial actin-like protein MreB inhibitors: Effects of substitution of benzyl group in S-benzylisothiourea

We comprehensively investigated the effects of substitution of the benzyl group in S-benzylisothiourea derivatives on antibacterial activity, because we found previously that some substitutions enhanced it. A 2,4-Cl 2-derivative was found to be the most effective compound, it was stronger than the original one in Gram-negative rod shaped-bacteria such as Escherichia coli and Salmonella typhimurium.

Regiochemistry and reactivity in the chlorination of sulfides

Huheey's original method for the calculation of substituent electronegativities is modified so that isomeric groups have different electronegativities.The modified form of Huheey's method is then employed to show that our previously published method for anticipating regiochemistry in asymmetric sulfide chlorination, i.e., ΔXP calculations for the α and α' substituents in the sulfide substrates, is successful in all fifty known cases.A new reactivity function (RP) is defined, for the sulfenium ion intermediates, which permits one to anticipate when substrates become inert to chlorine in exhaustive chlorinations conducted in aprotic media.