138417-40-0 Usage
General Description
Isothiazolo[5,4-b]pyridin-3(2H)-one, 1,1-dioxide is a chemical compound with a unique heterocyclic structure. It is a bicyclic compound containing both nitrogen and sulfur atoms in its ring system. Isothiazolo[5,4-b]pyridin-3(2H)-one, 1,1-dioxide has potential biological and pharmacological applications due to its structure and properties. It may be used in the development of new drugs or as a building block in organic synthesis. Additionally, its unique ring structure makes it a valuable compound for studying reaction mechanisms and investigating new chemical reactions. Overall, isothiazolo[5,4-b]pyridin-3(2H)-one, 1,1-dioxide is an interesting and versatile chemical compound with potential applications in various fields.
Check Digit Verification of cas no
The CAS Registry Mumber 138417-40-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,8,4,1 and 7 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 138417-40:
(8*1)+(7*3)+(6*8)+(5*4)+(4*1)+(3*7)+(2*4)+(1*0)=130
130 % 10 = 0
So 138417-40-0 is a valid CAS Registry Number.
138417-40-0Relevant articles and documents
Molecular modelling of the isothiazolo[5,4-b]pyridin-3(2H)-one derivatives
Martinez-Merino, Victor,Garcia, Jose I.,Mayoral, Jose A.,Gil, Maria J.,Zabalza, Jose M.,Fayet, Jean P.,Vertut, Marie C.,Carpy, Alain,Gonzalez, Alberto
, p. 8947 - 8956 (1996)
The performance of several semiempirical (MNDO, AM1, PM3, and SAM1) and ab initio (HF and MP2/6-31G*) methods for describing the structural and electronic features of a series of isothiazolopyridines, some of them bearing a hypervalent sulphur, is compared. Most of semiempirical methods calculate reasonable molecular structures, as compared with X-Ray structures, even in the case of S-oxides and S,S-dioxides. However, dipole moments are barely reproduced by these methods, even in the case of SAM1, which includes d orbitals. Hartree-Fock ab initio calculations do not lead to good dipole moment values in the case of S,S-dioxides. The agreement with experimental values is much better in the case of second order Moller-Plesset calculations, but this seems to be due to the systematic differences found between HF and MP2 values.
