| CAS Number | 127378-24-9 |
| Catalog Number | AG000X0M(AGN-PC-0WB358) |
| Chemical Name | (5E)-5-(3-ethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one |
| IUPAC Name | (5E)-5-[(3-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C12H11NO2S2/c1-2-15-9-5-3-4-8(6-9)7-10-11(14)13-12(16)17-10/h3-7H,2H2,1H3,(H,13,14,16)/b10-7+ |
| InChI Key | ILTPDFXVEVRXRT-JXMROGBWSA-N |
| MDL Number | MFCD04968949 |
| Molecular Formula | C12H11NO2S2 |
| Molecular Weight | 265.3512 |
| SMILES | N1C(=O)/C(/SC=1S)=CC1=CC=CC(OCC)=C1 |
| Synonyms | (5E)-5-(3-ethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one,
127378-24-9,
ALBB-009159,
ZINC2536789,
ZX-AN008054,
ZX-CM001412,
3438AD,
MFCD04968949,
AKOS000307534,
AKOS003017915,
AJ-38655,
BB 0253871,
Y-1451,
I01-13274,
(5E)-5-[(3-ethoxyphenyl)methylidene]-2-sulfanyl-1,3-thiazol-4-one,
C12H11NO2S2,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 265.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.345g/mol |
| Monoisotopic Mass | 265.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number