| CAS Number | 299903-84-7 |
| Catalog Number | AG00BETH(AGN-PC-0R5DHD) |
| Chemical Name | (5E)-5-(5-chloro-2-ethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one |
| IUPAC Name | (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C12H10ClNO2S2/c1-2-16-9-4-3-8(13)5-7(9)6-10-11(15)14-12(17)18-10/h3-6H,2H2,1H3,(H,14,15,17)/b10-6+ |
| InChI Key | FWMYEYGAMZTVQD-UXBLZVDNSA-N |
| MDL Number | MFCD04968970 |
| Molecular Formula | C12H10ClNO2S2 |
| Molecular Weight | 299.7963 |
| SMILES | N1C(=O)/C(/SC=1S)=CC1=CC(Cl)=CC=C1OCC |
| Synonyms | 299903-84-7,
(5E)-5-(5-chloro-2-ethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one,
(E)-5-(5-Chloro-2-ethoxybenzylidene)-2-mercaptothiazol-4(5H)-one,
ALBB-009164,
ZINC2536810,
ZX-AN008059,
ZX-CM001421,
MFCD04968970,
AKOS000307537,
AJ-38662,
I01-14192,
(5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-sulfanyl-1,3-thiazol-4-one,
AKOSB018255,
ZINC00969923,
CID1202471,
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| Complexity | 386 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 298.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.787g/mol |
| Monoisotopic Mass | 298.984g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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