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17822-34-3 | 4,5-Thiazolidinedione, 3-phenyl-2-thioxo-
CAS No: 17822-34-3 Catalog No: AG0025UW MDL No:
Product Description
Catalog Number:
AG0025UW
Chemical Name:
4,5-Thiazolidinedione, 3-phenyl-2-thioxo-
CAS Number:
17822-34-3
Molecular Formula:
C9H5NO2S2
Molecular Weight:
223.2715
IUPAC Name:
3-phenyl-2-sulfanylidene-1,3-thiazolidine-4,5-dione
InChI:
InChI=1S/C9H5NO2S2/c11-7-8(12)14-9(13)10(7)6-4-2-1-3-5-6/h1-5H
InChI Key:
GQQBIKMXNVZSCX-UHFFFAOYSA-N
SMILES:
S=C1SC(=O)C(=O)N1c1ccccc1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.976g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.264g/mol
Monoisotopic Mass:
222.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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