title: Isolation of the key intermediates in the catalyst-free conversion of oxiranes to thiiranes in water at ambient temperature.
abstract: Herein we shed light on the mechanism of the reaction of epoxides with ammonium thiocyanate to give the corresponding thiiranes in water, and we present a computational mechanistic model for this highly useful reaction.
authors.affiliation: Justus-Liebig-Universität, Institut für Organische Chemie, Heinrich-Buff-Ring 58, 35392, Giessen, Germany.
authors.forename: Christian M
authors.initials: CM
authors.lastname: Kleiner
authors.forename: Luise
authors.initials: L
authors.lastname: Horst
authors.forename: Christian
authors.initials: C
authors.lastname: Würtele
authors.forename: Raffael
authors.initials: R
authors.lastname: Wende
authors.forename: Peter R
authors.initials: PR
authors.lastname: Schreiner
mesh_terms: D002384:Catalysis; D003198:Computer Simulation; D018360:Crystallography, X-Ray; D005027:Ethylene Oxide / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D015394:Molecular Structure; D013237:Stereoisomerism; D013440:Sulfides / Q000138:chemical synthesis* / Q000737:chemistry; D013696:Temperature; D013861:Thiocyanates / Q000737:chemistry; D014867:Water / Q000737:chemistry*
chemical_list: D013440:Sulfides; D013861:Thiocyanates; D014867:Water; C013523:ethylene sulfide; C026976:thiocyanic acid; D005027:Ethylene Oxide