| CAS Number | 292075-95-7 |
| Catalog Number | AG002XOJ(AGN-PC-0WB4CH) |
| Chemical Name | (Z)-5-((5-bromofuran-2-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one |
| IUPAC Name | 5-[(5-bromofuran-2-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C10H8BrNO2S2/c1-2-12-9(13)7(16-10(12)15)5-6-3-4-8(11)14-6/h3-5H,2H2,1H3 |
| InChI Key | QJWUMQNCKKFBRE-UHFFFAOYSA-N |
| MDL Number | MFCD01361759 |
| Molecular Formula | C10H8BrNO2S2 |
| Molecular Weight | 318.2100 |
| SMILES | N1(CC)C(=O)/C(/SC1=S)=C/C1=CC=C(Br)O1 |
| Synonyms | 292075-95-7,
(Z)-5-((5-Bromofuran-2-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one,
5-[(5-bromofuran-2-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one,
AC1LOT6E,
CTK4G2925,
DTXSID70361514,
AKOS030253896,
MCULE-5861300553,
4-Thiazolidinone, 5-[(5-bromo-2-furanyl)methylene]-3-ethyl-2-thioxo-,
CHEMBRDG-BB 5742016,
ZINC01083669,
CID1269836,
(5Z)-5-[(5-BROMO-2-FURYL)METHYLENE]-3-ETHYL-2-THIOXO-1,3-THIAZOLIDIN-4-ONE,
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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 | 316.918g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.203g/mol |
| Monoisotopic Mass | 316.918g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 90.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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