| CAS Number | 330855-07-7 |
| Catalog Number | AG00C5SD(AGN-PC-0WB4CY) |
| Chemical Name | (Z)-3-Ethyl-5-((5-iodofuran-2-yl)methylene)-2-thioxothiazolidin-4-one |
| IUPAC Name | 3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C10H8INO2S2/c1-2-12-9(13)7(16-10(12)15)5-6-3-4-8(11)14-6/h3-5H,2H2,1H3 |
| InChI Key | SCVAFGWDLXPFBD-UHFFFAOYSA-N |
| MDL Number | MFCD01361760 |
| Molecular Formula | C10H8INO2S2 |
| Molecular Weight | 365.2105 |
| SMILES | N1(CC)C(=O)/C(/SC1=S)=C/C1=CC=C(I)O1 |
| Synonyms | 330855-07-7,
CHEMBRDG-BB 5740063,
(Z)-3-Ethyl-5-((5-iodofuran-2-yl)methylene)-2-thioxothiazolidin-4-one,
(5Z)-3-ethyl-5-[(5-iodo-2-furyl)methylene]-2-thioxo-1,3-thiazolidin-4-one,
AC1LOYL6,
CTK4G9920,
DTXSID00361562,
AKOS030253898,
MCULE-2550738365,
3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one,
ZINC01090500,
CID1274449,
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| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.904g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.203g/mol |
| Monoisotopic Mass | 364.904g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 90.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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