| CAS Number | 313470-10-9 |
| Catalog Number | AG00C5SB(AGN-PC-0WB4AC) |
| Chemical Name | (E)-5-(5-Bromo-2-hydroxybenzylidene)-3-ethyl-2-thioxothiazolidin-4-one |
| IUPAC Name | 5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C12H10BrNO2S2/c1-2-14-11(16)10(18-12(14)17)6-7-5-8(13)3-4-9(7)15/h3-6,15H,2H2,1H3 |
| InChI Key | MDYCAIXXSWVPDV-UHFFFAOYSA-N |
| MDL Number | MFCD01021844 |
| Molecular Formula | C12H10BrNO2S2 |
| Molecular Weight | 344.2473 |
| SMILES | N1(CC)C(=O)/C(/SC1=S)=CC1C=C(Br)C=CC=1O |
| Synonyms | 313470-10-9,
CHEMBRDG-BB 5583941,
(E)-5-(5-Bromo-2-hydroxybenzylidene)-3-ethyl-2-thioxothiazolidin-4-one,
5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one,
(5E)-5-(5-BROMO-2-HYDROXYBENZYLIDENE)-3-ETHYL-2-THIOXO-1,3-THIAZOLIDIN-4-ONE,
AC1LQHQY,
SCHEMBL13726902,
CTK4G6893,
DTXSID10361957,
AKOS030253889,
MCULE-8525617653,
CID1350720,
BAS 00520624,
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| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.934g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.241g/mol |
| Monoisotopic Mass | 342.934g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 97.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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