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Home > Imidazoles > 648450-12-8
648450-12-8 | 2,4-Thiazolidinedione, 5-[(1-ethyl-1H-benzimidazol-6-yl)methylene]-
CAS No: 648450-12-8 Catalog No: AG006SIK MDL No:
Product Description
Catalog Number:
AG006SIK
Chemical Name:
2,4-Thiazolidinedione, 5-[(1-ethyl-1H-benzimidazol-6-yl)methylene]-
CAS Number:
648450-12-8
Molecular Formula:
C13H11N3O2S
Molecular Weight:
273.3103
IUPAC Name:
5-[(3-ethylbenzimidazol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C13H11N3O2S/c1-2-16-7-14-9-4-3-8(5-10(9)16)6-11-12(17)15-13(18)19-11/h3-7H,2H2,1H3,(H,15,17,18)
InChI Key:
GTBLSJSETTWPNA-UHFFFAOYSA-N
SMILES:
CCn1cnc2c1cc(cc2)C=C1SC(=O)NC1=O
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.31g/mol
Monoisotopic Mass:
273.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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