| CAS Number | 359899-47-1 |
| Catalog Number | AG00C60S(AGN-PC-0WB4C2) |
| Chemical Name | (5E)-5-(5-bromo-2-hydroxy-3-methoxybenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one |
| IUPAC Name | 5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C13H12BrNO3S2/c1-3-15-12(17)10(20-13(15)19)5-7-4-8(14)6-9(18-2)11(7)16/h4-6,16H,3H2,1-2H3 |
| InChI Key | XCXMDMYJHGEQAC-UHFFFAOYSA-N |
| MDL Number | MFCD01152484 |
| Molecular Formula | C13H12BrNO3S2 |
| Molecular Weight | 374.2733 |
| SMILES | N1(CC)C(=O)/C(/SC1=S)=CC1C=C(Br)C=C(OC)C=1O |
| Synonyms | 359899-47-1,
CHEMBRDG-BB 5669084,
(E)-5-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-3-ethyl-2-thioxothiazolidin-4-one,
(5E)-5-(5-bromo-2-hydroxy-3-methoxybenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one,
AC1MERPY,
CTK4H5716,
DTXSID50386346,
AKOS030253899,
MCULE-6668833085,
5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one,
ZINC05017578,
CID2860083,
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| Complexity | 443 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 374.267g/mol |
| Monoisotopic Mass | 372.944g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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