| CAS Number | 430464-20-3 |
| Catalog Number | AG00DASG(AGN-PC-0WB4MF) |
| Chemical Name | (Z)-5-(2-Bromo-5-ethoxybenzylidene)-2-iminothiazolidin-4-one |
| IUPAC Name | 2-amino-5-[(2-bromo-5-ethoxyphenyl)methylidene]-1,3-thiazol-4-one |
| InChI | InChI=1S/C12H11BrN2O2S/c1-2-17-8-3-4-9(13)7(5-8)6-10-11(16)15-12(14)18-10/h3-6H,2H2,1H3,(H2,14,15,16) |
| InChI Key | RYHFNPZVJJOWFP-UHFFFAOYSA-N |
| MDL Number | MFCD02377548 |
| Molecular Formula | C12H11BrN2O2S |
| Molecular Weight | 327.1969 |
| SMILES | N1C(=O)/C(/SC1=N)=C/C1C=C(OCC)C=CC=1Br |
| Synonyms | 430464-20-3,
CHEMBRDG-BB 6637368,
(5Z)-5-(2-bromo-5-ethoxybenzylidene)-2-imino-1,3-thiazolidin-4-one,
AC1MEQDP,
CTK4I6939,
DTXSID20387749,
2-amino-5-[(2-bromo-5-ethoxyphenyl)methylidene]-1,3-thiazol-4-one,
AKOS030253931,
MCULE-3392148463,
2-Amino-5-[(2-bromo-5-ethoxyphenyl)methylidene]-1,3-thiazol-4(5H)-one,
ZINC04755395,
CID2907417,
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| Complexity | 398 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.196g/mol |
| Monoisotopic Mass | 325.972g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 90A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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