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28996-49-8 | 4-Thiazolidinone, 5-[(4-methoxyphenyl)methylene]-3-methyl-2-thioxo-
CAS No: 28996-49-8 Catalog No: AG002V5B MDL No:
Product Description
Catalog Number:
AG002V5B
Chemical Name:
4-Thiazolidinone, 5-[(4-methoxyphenyl)methylene]-3-methyl-2-thioxo-
CAS Number:
28996-49-8
Molecular Formula:
C12H11NO2S2
Molecular Weight:
265.3512
IUPAC Name:
5-[(4-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H11NO2S2/c1-13-11(14)10(17-12(13)16)7-8-3-5-9(15-2)6-4-8/h3-7H,1-2H3
InChI Key:
FKFMMSOHYHLUCK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=C1SC(=S)N(C1=O)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.345g/mol
Monoisotopic Mass:
265.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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