116228-69-4

Basic information

• Product Name: 3-Cyan-6-methyl-5-(pyrid-4-yl)-1,2-dihydro-pyrid-2-thion
• Synonyms: 3-Cyan-6-methyl-5-(pyrid-4-yl)-1,2-dihydro-pyrid-2-thion
• CAS NO: 116228-69-4
• Molecular Weight: 227.29
• Mol File: 116228-69-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 3-Cyan-6-methyl-5-(pyrid-4-yl)-1,2-dihydro-pyrid-2-thion(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Cyan-6-methyl-5-(pyrid-4-yl)-1,2-dihydro-pyrid-2-thion(116228-69-4)
• EPA Substance Registry System: 3-Cyan-6-methyl-5-(pyrid-4-yl)-1,2-dihydro-pyrid-2-thion(116228-69-4)

Safety Data

• Hazardous Substances Data: 116228-69-4(Hazardous Substances Data)

Upstream product

• 7357-70-2 Cyanothioacetamide 
• 88349-61-5 (Z)-4-ethoxy-3-(pyridin-4-yl)but-3-en-2-one 

Relevant articles and documents

Potential cardiotonic agents. 4. Synthesis, cardiovascular activity, molecular and crystal structure of 5-phenyl- and 4-(4-pyridinyl)-substituted 2(1H)-pyridinethiones

Cyclisation of the vinylogous amidinium salt 1 or the 4-ethoxy- and 4-morpholino-3-butene-2-ones, respectively, 4 and 6 with cyano-thioacetamide yielded the 5-(4-pyridinyl)-, 6-methyl-5-(4-pyridinyl)- and 6-methyl-5-phenyl-, respectively, substituted 3-cyano-2(1H)-pyridinethiones 3, 5 and 7. The 2(1H)-pyridinethiones 3, 5 and 7a as well as the in 3-position unsubstituted or carbamoyl substituted derivatives 8 and 9 were obtained from the corresponding 2-chloro-pyridines and potassium sulfide, too. Especially compound 5 showed remarkable positive inotropic potency and, additionally, vasodilator activity. The molecular and crystal structure of 5 have been determines by X-ray structure analysis. Based on the molecular structure charge distribution and electrostatic potential were evaluated. The results are discussed in comparison with those of milrinone.