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65562-50-7 | 4-Thiazolidinone, 5-[1-(2-furanyl)ethylidene]-2-thioxo-
CAS No: 65562-50-7 Catalog No: AG006RHE MDL No:
Product Description
Catalog Number:
AG006RHE
Chemical Name:
4-Thiazolidinone, 5-[1-(2-furanyl)ethylidene]-2-thioxo-
CAS Number:
65562-50-7
Molecular Formula:
C9H7NO2S2
Molecular Weight:
225.2874
IUPAC Name:
5-[1-(furan-2-yl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C9H7NO2S2/c1-5(6-3-2-4-12-6)7-8(11)10-9(13)14-7/h2-4H,1H3,(H,10,11,13)
InChI Key:
OJQJYPGRHMPZLT-UHFFFAOYSA-N
SMILES:
S=C1NC(=O)C(=C(c2ccco2)C)S1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.28g/mol
Monoisotopic Mass:
224.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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