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1935232-84-0 | 2H,3H,6H-1lambda6-pyrazolo[4,3-d][1,2]thiazole-1,1,3-trione
CAS No: 1935232-84-0 Catalog No: AG01AHG3 MDL No:
Product Description
Catalog Number:
AG01AHG3
Chemical Name:
2H,3H,6H-1lambda6-pyrazolo[4,3-d][1,2]thiazole-1,1,3-trione
CAS Number:
1935232-84-0
Molecular Formula:
C4H3N3O3S
Molecular Weight:
173.1499
IUPAC Name:
1,1-dioxo-6H-pyrazolo[4,3-d][1,2]thiazol-3-one
InChI:
InChI=1S/C4H3N3O3S/c8-3-2-1-5-6-4(2)11(9,10)7-3/h1H,(H,5,6)(H,7,8)
InChI Key:
LBVQNOATOXWBJN-UHFFFAOYSA-N
SMILES:
O=C1NS(=O)(=O)c2c1cn[nH]2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.99g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.146g/mol
Monoisotopic Mass:
172.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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