| CAS Number | 1956356-56-1 |
| Catalog Number | AG01ENFQ(AGN-PC-3H45L0) |
| Chemical Name | KYA1797K |
| IUPAC Name | potassium;3-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate |
| InChI | InChI=1S/C17H12N2O6S2.K/c20-15(21)7-8-18-16(22)14(27-17(18)26)9-12-5-6-13(25-12)10-1-3-11(4-2-10)19(23)24;/h1-6,9H,7-8H2,(H,20,21);/q;+1/p-1/b14-9-; |
| InChI Key | PHUNRLYHXGMOLG-WQRRWHLMSA-M |
| MDL Number | MFCD30718585 |
| Molecular Formula | C17H11KN2O6S2 |
| Molecular Weight | 442.5073 |
| SMILES | O=C([O-])CCN(C2=O)C(S/C2=C/C1=CC=C(C3=CC=C([N+]([O-])=O)C=C3)O1)=S.[K+] |
| Synonyms | (5Z)-5-((5-(4-Nitrophenyl)-2-furanyl)methylene)-4-oxo-2-thioxo-3-thiazolidinepropanoic acid potassium salt,
(Z)-3-(5-((5-(4-nitrophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid potassium salt,
KYA1797K,
KYA1797K,
1956356-56-1,
potassium (Z)-3-(5-((5-(4-nitrophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate,
851304-36-4,
EX-A2498,
s8327,
CS-7520,
HY-101090,
KYA1797K potassium salt, >=98% (HPLC),
A16353,
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| Complexity | 663 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 441.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 442.501g/mol |
| Monoisotopic Mass | 441.97g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 177A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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