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Home > Pyridines > 1629319-51-2
1629319-51-2 | 2H,3H-1lambda6-[1,2]thiazolo[4,5-b]pyridine-1,1,3-trione
CAS No: 1629319-51-2 Catalog No: AG01AUDG MDL No:
Product Description
Catalog Number:
AG01AUDG
Chemical Name:
2H,3H-1lambda6-[1,2]thiazolo[4,5-b]pyridine-1,1,3-trione
CAS Number:
1629319-51-2
Molecular Formula:
C6H4N2O3S
Molecular Weight:
184.1726
IUPAC Name:
1,1-dioxo-[1,2]thiazolo[4,5-b]pyridin-3-one
InChI:
InChI=1S/C6H4N2O3S/c9-6-5-4(2-1-3-7-5)12(10,11)8-6/h1-3H,(H,8,9)
InChI Key:
QSASMMZWKKZWNJ-UHFFFAOYSA-N
SMILES:
O=C1NS(=O)(=O)c2c1nccc2
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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