| CAS Number | 326019-49-2 |
| Catalog Number | AG00C5WP(AGN-PC-0WB4BD) |
| Chemical Name | 5-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-3-methyl-2-thioxothiazolidin-4-one |
| IUPAC Name | 5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C12H10BrNO3S2/c1-14-11(16)9(19-12(14)18)4-6-3-7(13)5-8(17-2)10(6)15/h3-5,15H,1-2H3 |
| InChI Key | SGQRPWKSBNPINH-UHFFFAOYSA-N |
| MDL Number | MFCD00617414 |
| Molecular Formula | C12H10BrNO3S2 |
| Molecular Weight | 360.2467 |
| SMILES | BrC=1C=C(C(=C(C=C2C(N(C(S2)=S)C)=O)C1)O)OC |
| Synonyms | 326019-49-2,
CHEMBRDG-BB 5602641,
(E)-5-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-3-methyl-2-thioxothiazolidin-4-one,
(5E)-5-(5-bromo-2-hydroxy-3-methoxybenzylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one,
CTK4G8988,
DTXSID30360962,
AKOS030253891,
MCULE-7340081849,
CID1205518,
BAS 00365488,
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| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.24g/mol |
| Monoisotopic Mass | 358.929g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number