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Home > Pyridines > 138417-40-0
138417-40-0 | Isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide
CAS No: 138417-40-0 Catalog No: AG00192Y MDL No:MFCD19440801
Product Description
Catalog Number:
AG00192Y
Chemical Name:
Isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide
CAS Number:
138417-40-0
Molecular Formula:
C6H4N2O3S
Molecular Weight:
184.1726
MDL Number:
MFCD19440801
IUPAC Name:
1,1-dioxo-[1,2]thiazolo[5,4-b]pyridin-3-one
InChI:
InChI=1S/C6H4N2O3S/c9-5-4-2-1-3-7-6(4)12(10,11)8-5/h1-3H,(H,8,9)
InChI Key:
TYWYQFLITLNVEM-UHFFFAOYSA-N
SMILES:
O=C1NS(=O)(=O)c2c1cccn2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.994g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.169g/mol
Monoisotopic Mass:
183.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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