78972-51-7

Basic information

• Product Name: 6-methoxy-2-thioxo-2,3-dihydro-4H-1,3,5-thiadiazin-4-one
• Synonyms: 6-methoxy-2-thioxo-2,3-dihydro-4H-1,3,5-thiadiazin-4-one;2,3-Dihydro-6-methoxy-2-thioxo-4H-1,3,5-thiadiazin-4-one
• CAS NO: 78972-51-7
• Molecular Formula: C₄H₄N₂O₂S₂
• Molecular Weight: 176.21676
• EINECS: 279-025-6
• Mol File: 78972-51-7.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• Density: 1.698g/cm³
• Refractive Index: 1.737
• CAS DataBase Reference: 6-methoxy-2-thioxo-2,3-dihydro-4H-1,3,5-thiadiazin-4-one(CAS DataBase Reference)
• NIST Chemistry Reference: 6-methoxy-2-thioxo-2,3-dihydro-4H-1,3,5-thiadiazin-4-one(78972-51-7)
• EPA Substance Registry System: 6-methoxy-2-thioxo-2,3-dihydro-4H-1,3,5-thiadiazin-4-one(78972-51-7)

Safety Data

• Hazardous Substances Data: 78972-51-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C4H4N2O2S2/c1-8-3-5-2(7)6-4(9)10-3/h1H3,(H,6,7,9)

Upstream product

• 67-56-1 methanol 
• 6470-09-3 carbonyl diisothiocyanate 

Downstream Products

• 1768-34-9 methoxyacetonitrile 
• 78972-50-6 4,4-Dibenzylthioallophansaeure-O-methylester 

Relevant articles and documents

Carbonyl Diisothiocyanate

A cheap synthesis of carbonyl diisothiocyanate (1) from ammonium thiocyanate and phosgene is reported.As a strong electrophil 1 forms the 6-substituted 2-thioxo-1,3,5-thiadiazine-4-ones 4 - 7 with water, alcohols, hydrogensulfide, mercaptanes, ammonia, and amines.With excess nucleophil the ring of the heterocycles is opened.Addition to the NCS group or substitution of this group leads to compounds 9, 11, 12, 14, and 15.Thermally the thiadiazinones 7e, h rearrange to the dithioisocyanuric acids 10a, b.Some physical properties ( e. g. pK values, hindered rotations) of the compounds are described.