| CAS Number | 58215-51-3 |
| Catalog Number | AG00EC2G(AGN-PC-0WB4DY) |
| Chemical Name | (Z)-5-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-3-methyl-2-thioxothiazolidin-4-one |
| IUPAC Name | (5Z)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C12H10BrNO3S2/c1-14-11(16)9(19-12(14)18)5-6-3-7(13)10(15)8(4-6)17-2/h3-5,15H,1-2H3/b9-5- |
| InChI Key | SUJMGDLBTPFCMK-UITAMQMPSA-N |
| MDL Number | MFCD02211434 |
| Molecular Formula | C12H10BrNO3S2 |
| Molecular Weight | 360.2467 |
| SMILES | N1(C)C(=O)/C(/SC1=S)=C/C1=CC(OC)=C(C(Br)=C1)O |
| Synonyms | 58215-51-3,
CHEMBRDG-BB 5903224,
(5Z)-5-(3-BROMO-4-HYDROXY-5-METHOXYBENZYLIDENE)-3-METHYL-2-THIOXO-1,3-THIAZOLIDIN-4-ONE,
AC1M2ZOW,
ZINC1194744,
ZX-CM016262,
MFCD02211434,
AKOS005128184,
AJ-25090,
BIM-0036344.P001,
W-9219,
SR-01000222920,
SR-01000222920-1,
(5Z)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one,
CHEMBRDG-BB5903224,
ZINC01194744,
CID2204005,
(Z)-5-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-3-methyl-2-thioxothiazolidin-4-one,
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| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| 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 | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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