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16878-94-7 | 2-Thiazolidinone, 5-[(2-hydroxyphenyl)methylene]-4-thioxo-
CAS No: 16878-94-7 Catalog No: AG001YAB MDL No:
Product Description
Catalog Number:
AG001YAB
Chemical Name:
2-Thiazolidinone, 5-[(2-hydroxyphenyl)methylene]-4-thioxo-
CAS Number:
16878-94-7
Molecular Formula:
C10H7NO2S2
Molecular Weight:
237.2981
IUPAC Name:
(5E)-5-[(2-hydroxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
InChI:
InChI=1S/C10H7NO2S2/c12-7-4-2-1-3-6(7)5-8-9(14)11-10(13)15-8/h1-5,12H,(H,11,13,14)/b8-5+
InChI Key:
ORKCFVFHHZRUEZ-VMPITWQZSA-N
SMILES:
O=C1NC(=S)C(=Cc2ccccc2O)S1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
236.992g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.291g/mol
Monoisotopic Mass:
236.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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