| CAS Number | 359596-38-6 |
| Catalog Number | AG00C5Z8(AGN-PC-0WB35A) |
| Chemical Name | 2-(4-[(E)-(2-Mercapto-4-oxo-1,3-thiazol-5(4h)-ylidene)methyl]phenoxy)acetamide |
| IUPAC Name | 2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide |
| InChI | InChI=1S/C12H10N2O3S2/c13-10(15)6-17-8-3-1-7(2-4-8)5-9-11(16)14-12(18)19-9/h1-5H,6H2,(H2,13,15)(H,14,16,18)/b9-5+ |
| InChI Key | ZKWSMSDQCHYGBL-WEVVVXLNSA-N |
| MDL Number | MFCD04968955 |
| Molecular Formula | C12H10N2O3S2 |
| Molecular Weight | 294.3494 |
| SMILES | N1C(=O)/C(/SC=1S)=CC1C=CC(=CC=1)OCC(N)=O |
| Synonyms | 359596-38-6,
2-{4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]phenoxy}acetamide,
C12H10N2O3S2,
(E)-2-(4-((2-Mercapto-4-oxothiazol-5(4H)-ylidene)methyl)phenoxy)acetamide,
2-(4-[(E)-(2-Mercapto-4-oxo-1,3-thiazol-5(4h)-ylidene)methyl]phenoxy)acetamide,
ALBB-009158,
ZINC2536795,
ZX-AN008053,
ZX-CM001414,
1571AE,
MFCD04968955,
AKOS000307517,
AKOS003262698,
AJ-38656,
Y-1452,
I14-31060,
2-(4-{[(5E)-4-oxo-2-sulfanyl-1,3-thiazol-5-ylidene]methyl}phenoxy)acetamide,
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| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 294.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.343g/mol |
| Monoisotopic Mass | 294.013g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 139A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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