| CAS Number | 331711-38-7 |
| Catalog Number | AG00C5R1(AGN-PC-0WB496) |
| Chemical Name | (Z)-5-(3-Bromo-2-hydroxy-5-methoxybenzylidene)-2-thioxothiazolidin-4-one |
| IUPAC Name | 5-[(3-bromo-2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C11H8BrNO3S2/c1-16-6-2-5(9(14)7(12)4-6)3-8-10(15)13-11(17)18-8/h2-4,14H,1H3,(H,13,15,17) |
| InChI Key | NEHKSLXTGXFCJD-UHFFFAOYSA-N |
| MDL Number | MFCD00815940 |
| Molecular Formula | C11H8BrNO3S2 |
| Molecular Weight | 346.2201 |
| SMILES | N1C(=O)/C(/SC1=S)=C/C1C=C(OC)C=C(Br)C=1O |
| Synonyms | 331711-38-7,
AC1MDXYM,
CHEMBRDG-BB 5402490,
(Z)-5-(3-Bromo-2-hydroxy-5-methoxybenzylidene)-2-thioxothiazolidin-4-one,
(5Z)-5-(3-BROMO-2-HYDROXY-5-METHOXYBENZYLIDENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE,
CTK4H0076,
DTXSID50385819,
AKOS030253962,
MCULE-7867839391,
5-[(3-bromo-2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one,
ZINC00975112,
CID2844823,
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| Complexity | 402 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.913g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.213g/mol |
| Monoisotopic Mass | 344.913g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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