60320-32-3

Basic information

• Product Name: NSC 231656
• Synonyms: 2-(AcetylaMino)-5-chloro-1,3,4-thiadiazole;2-AcetaMido-5-chloro-1,3,4-thiadiazole;2-AMino-5-acetaMido-1,3,4-thiadiazole;N-(5-Chloro-1,3,4-thiadiazol-2-yl)acetaMide;NSC 231656
• CAS NO: 60320-32-3
• Molecular Formula: C₄H₄ClN₃OS
• Molecular Weight: 177.61206
• Product Categories: Amines;Heterocycles;Impurities;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds
• Mol File: 60320-32-3.mol
• Article Data: 1

Chemical Properties

• Melting Point: 245-246 °C(Solv: ethanol (64-17-5))
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.608g/cm³
• Refractive Index: 1.644
• Storage Temp.: Amber Vial, Refrigerator, Under inert atmosphere
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 8.95±0.50(Predicted)
• Stability: Light Sensitive
• CAS DataBase Reference: NSC 231656(CAS DataBase Reference)
• NIST Chemistry Reference: NSC 231656(60320-32-3)
• EPA Substance Registry System: NSC 231656(60320-32-3)

Safety Data

• Hazardous Substances Data: 60320-32-3(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 60320-32-3 differently. You can refer to the following data:
1. N-(5-Chloro-1,3,4-thiadiazol-2-yl)acetamide is an impurity of Acetazolamide (A161500). Acetazolamide impurity A.
2. N-(5-Chloro-1,3,4-thiadiazol-2-yl)acetamide is an impurity of Acetazolamide (A161500). Acetazolamide EP Impurity A

InChI:InChI=1/C4H4ClN3OS/c1-2(9)6-4-8-7-3(5)10-4/h1H3,(H,6,8,9)

Upstream product

• 32873-56-6 2-acetylamino-5-mercapto-1,3,4-thiadiazole 

Downstream Products

• 187744-47-4 N-(5-Benzenesulfonyl-[1,3,4]thiadiazol-2-yl)-acetamide 
• 187744-49-6 N-[5-(Toluene-4-sulfonyl)-[1,3,4]thiadiazol-2-yl]-acetamide 

Relevant articles and documents

GIAO/DFT 13C NMR Chemical Shifts of 1,3,4-thiadiazoles

1H, 13C and 15N NMR spectra of 2-acetylamino-1,3,4-thiadiazole and its 5-substituted derivatives have been measured and assigned based on reference data, as well as homo- and heteronuclear 2 D NMR experiments. In addition, the GIAO/DFT approach at the B3LYP level of theory using the 6-311G basis set was used to calculate the 13C NMR chemical shifts. Although this method gives reliable results for 2-arylhydrazones of 1,3-diphenylpropanetrione, 2-phenacylpyridines, (Z)-2-(2-hydroxy-2-phenylvinyl)pyridines, 4-fluoroanilines, (1Z,3Z)-1,4-di(pyridin-2-yl)buta-1,3-dienediols and their tautomeric forms, the calculated chemical shifts for the 1,3,4-thiadiazoles studied are less satisfactory. Presence of the sulfur atom(s) seems to be responsible for such behavior.