211388-16-8

Basic information

• Product Name: 1,3,4-Thiadiazol-2(3H)-one, 3-acetyl-5-amino- (9CI)
• Synonyms: 1,3,4-Thiadiazol-2(3H)-one, 3-acetyl-5-amino- (9CI)
• CAS NO: 211388-16-8
• Molecular Formula: C4H5N3O2S
• Molecular Weight: 159.1664
• Product Categories: ACETYLGROUP
• Mol File: 211388-16-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 285.4±23.0 °C(Predicted)
• Appearance: /
• Density: 1.79±0.1 g/cm3(Predicted)
• PKA: -4.01±0.40(Predicted)
• CAS DataBase Reference: 1,3,4-Thiadiazol-2(3H)-one, 3-acetyl-5-amino- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,4-Thiadiazol-2(3H)-one, 3-acetyl-5-amino- (9CI)(211388-16-8)
• EPA Substance Registry System: 1,3,4-Thiadiazol-2(3H)-one, 3-acetyl-5-amino- (9CI)(211388-16-8)

Safety Data

• Hazardous Substances Data: 211388-16-8(Hazardous Substances Data)

Usage

General Description

1,3,4-Thiadiazol-2(3H)-one, 3-acetyl-5-amino- (9CI) is a chemical compound with the molecular formula C5H6N4OS. It is a member of the thiadiazole family, which are heterocyclic compounds containing a five-membered ring with sulfur and nitrogen atoms. This specific compound contains an acetyl group and an amino group, making it a potential building block for the synthesis of various pharmaceuticals and biologically active molecules. It has potential applications in the pharmaceutical industry for the development of drugs targeting a range of diseases and conditions. Additionally, it is important for research purposes in the study of heterocyclic chemistry and drug discovery.

Upstream product

• 108-24-7 acetic anhydride 
• 33901-30-3 5-amino-3H-1,3,4-thiadiazolin-2-one 

Downstream Products

• 99903-75-0 N-(5-oxo-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-acetamide 

Relevant articles and documents

Acylation of 5-amino-3H-1,3,4-thiadiazolin-2-one

Acylation of 5-amino-3H-1,3,4-thiadiazolin-2-one (2) was undertaken selectively at either the 3-NH position or at 5-amino group depending on reaction conditions. The 3-NH is highly acidic and acylation takes place with acid anhydrides at this position in

Mass Spectrometric Studies of 3-Substituted-5-amino-1,3,4-thiadiazolin-2-ones

Fragment pathways of 3-alkyl and acyl-5-amino-1,3,4-thiadiazolin-2-ones were completely assigned by mass analyzed kinetic energy spectra (MIKE), collisional activated dissociation (CAD) spectra and high resolution mass spectra. + and + ions were directly formed from molecular ion of the 3-alkyl compounds and from 5-amino-3H-1,3,4-thiadiazolin-2-one ion (1) which was produced by McLafferty rearrangement from molecular ion of 3-acyl compounds.A loss of neutral SCO was only detected from 3-alkyl substituted molecular ions. - Keywords: 3-substituted-5-amino-1,3,4-thiadiazolin-2-ones; MIKE and CAD spetra