127570-96-1 Usage
General Description
1-Mercapto-4-methyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is a chemical compound with the molecular formula C9H8N4OS. It is a heterocyclic compound containing a triazoloquinazolinone ring system with a methyl group and a mercapto group attached. 1-MERCAPTO-4-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE has potential applications in pharmaceutical research and drug development due to its unique structure and potential biological activities. Its properties and potential uses make it a compound of interest for further study and potential use in the development of new drugs or therapeutic compounds.
Check Digit Verification of cas no
The CAS Registry Mumber 127570-96-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,7,5,7 and 0 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 127570-96:
(8*1)+(7*2)+(6*7)+(5*5)+(4*7)+(3*0)+(2*9)+(1*6)=141
141 % 10 = 1
So 127570-96-1 is a valid CAS Registry Number.
InChI:InChI=1/C10H8N4OS/c1-13-8(15)6-4-2-3-5-7(6)14-9(13)11-12-10(14)16/h2-5H,1H3,(H,12,16)
127570-96-1Relevant articles and documents
Regioselectivity of electrophilic attack on 4-methyl-1-thioxo-1,2,4,5- tetrahydro[1,2,4]triazolo[4,3-a]quinazolin-5-one. Part 1: Reactions at the sulfur atom
Fathalla, Walid,Cajan, Michal,Pazdera, Pavel
, p. 557 - 573 (2001)
The regioselectivity of the model compound 4-methyl-1-thioxo-1,2,4,5- tetrahydro[1,2,4]triazolo[4,3-a]quinazolin-5-one (3) towards different electrophiles was studied. Compound 3 reacts with alkyl and aryl halides to give the corresponding S-substituted derivatives. The reaction of the model thioamide with acyl halides proceeds by the formation of kinetically controlled S-acyl derivatives followed by a transacylation reaction to give the N 2-acyl derivatives as thermodynamically controlled products. Theoretical DFT computational studies supported the explanation of these results. The synthesized compounds were characterized by FTIR, 1H-NMR, 13C-NMR, and mass spectroscopy.
