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139477-22-8 | 2,5-Pyrrolidinedione, 3-phenyl-1-(1,3,4-thiadiazol-2-yl)-
CAS No: 139477-22-8 Catalog No: AG001B3B MDL No:
Product Description
Catalog Number:
AG001B3B
Chemical Name:
2,5-Pyrrolidinedione, 3-phenyl-1-(1,3,4-thiadiazol-2-yl)-
CAS Number:
139477-22-8
Molecular Formula:
C12H9N3O2S
Molecular Weight:
259.2838
IUPAC Name:
3-phenyl-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C12H9N3O2S/c16-10-6-9(8-4-2-1-3-5-8)11(17)15(10)12-14-13-7-18-12/h1-5,7,9H,6H2
InChI Key:
CUGHLGNNYBNZOR-UHFFFAOYSA-N
SMILES:
O=C1CC(C(=O)N1c1nncs1)c1ccccc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.283g/mol
Monoisotopic Mass:
259.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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