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97677-82-2 | Spiro[imidazolidine-4,4'-[4H]indeno[1,2-b]thiophene]-2,5-dione
CAS No: 97677-82-2 Catalog No: AG005YFV MDL No:
Product Description
Catalog Number:
AG005YFV
Chemical Name:
Spiro[imidazolidine-4,4'-[4H]indeno[1,2-b]thiophene]-2,5-dione
CAS Number:
97677-82-2
Molecular Formula:
C13H8N2O2S
Molecular Weight:
256.2798
IUPAC Name:
spiro[imidazolidine-5,4'-indeno[1,2-b]thiophene]-2,4-dione
InChI:
InChI=1S/C13H8N2O2S/c16-11-13(15-12(17)14-11)8-4-2-1-3-7(8)10-9(13)5-6-18-10/h1-6H,(H2,14,15,16,17)
InChI Key:
LMKRXSYQQULADA-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2(N1)c1ccsc1c1c2cccc1
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.279g/mol
Monoisotopic Mass:
256.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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