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16874-97-8 | 2,5-Thiazolidinedione
CAS No: 16874-97-8 Catalog No: AG001Y9K MDL No:
Product Description
Catalog Number:
AG001Y9K
Chemical Name:
2,5-Thiazolidinedione
CAS Number:
16874-97-8
Molecular Formula:
C3H3NO2S
Molecular Weight:
117.1264
IUPAC Name:
1,3-thiazolidine-2,5-dione
InChI:
InChI=1S/C3H3NO2S/c5-2-1-4-3(6)7-2/h1H2,(H,4,6)
InChI Key:
STHGEDCARBQXMJ-UHFFFAOYSA-N
SMILES:
O=C1NCC(=O)S1
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.988g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
117.122g/mol
Monoisotopic Mass:
116.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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