| CAS Number | 331261-30-4 |
| Catalog Number | AG00C5WZ(AGN-PC-0WB4AZ) |
| Chemical Name | (5E)-5-(3-hydroxy-4-methoxybenzylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one |
| IUPAC Name | 5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C12H11NO3S2/c1-13-11(15)10(18-12(13)17)6-7-3-4-9(16-2)8(14)5-7/h3-6,14H,1-2H3 |
| InChI Key | FYJSHHXPSLMVKG-UHFFFAOYSA-N |
| MDL Number | MFCD00617390 |
| Molecular Formula | C12H11NO3S2 |
| Molecular Weight | 281.3506 |
| SMILES | N1(C)C(=O)/C(/SC1=S)=CC1C=CC(=C(O)C=1)OC |
| Synonyms | 331261-30-4,
CHEMBRDG-BB 5614103,
(5E)-5-(3-hydroxy-4-methoxybenzylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one,
CTK4G9985,
DTXSID70360961,
AKOS030253890,
MCULE-2945152376,
(E)-5-(3-Hydroxy-4-methoxybenzylidene)-3-methyl-2-thioxothiazolidin-4-one,
CID1205515,
BAS 00365464,
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| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.344g/mol |
| Monoisotopic Mass | 281.018g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number