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70996-93-9 | 4-Thiazolidinone, 5-[(3-methyl-5-isoxazolyl)methylene]-2-thioxo-
CAS No: 70996-93-9 Catalog No: AG0061JL MDL No:
Product Description
Catalog Number:
AG0061JL
Chemical Name:
4-Thiazolidinone, 5-[(3-methyl-5-isoxazolyl)methylene]-2-thioxo-
CAS Number:
70996-93-9
Molecular Formula:
C8H6N2O2S2
Molecular Weight:
226.2754
IUPAC Name:
5-[(3-methyl-1,2-oxazol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C8H6N2O2S2/c1-4-2-5(12-10-4)3-6-7(11)9-8(13)14-6/h2-3H,1H3,(H,9,11,13)
InChI Key:
BZBRLWRBZHVGPP-UHFFFAOYSA-N
SMILES:
Cc1cc(on1)C=C1SC(=S)NC1=O
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.987g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.268g/mol
Monoisotopic Mass:
225.987g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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