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5718-88-7 | 5-(2-furylmethylene)-1,3-thiazolidine-2,4-dione
CAS No: 5718-88-7 Catalog No: AG0197AG MDL No:MFCD00460127
Product Description
Catalog Number:
AG0197AG
Chemical Name:
5-(2-furylmethylene)-1,3-thiazolidine-2,4-dione
CAS Number:
5718-88-7
Molecular Formula:
C8H5NO3S
Molecular Weight:
195.1952
MDL Number:
MFCD00460127
IUPAC Name:
(5E)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C8H5NO3S/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4+
InChI Key:
OZIVFRZKBDVKEO-GQCTYLIASA-N
SMILES:
O=C1NC(=O)/C(=C\c2ccco2)/S1
NSC Number:
31089
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
194.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.192g/mol
Monoisotopic Mass:
194.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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