| CAS Number | 748778-73-6 |
| Catalog Number | AG01BDLL |
| Chemical Name | 4-(5-Chlorothiophen-2-yl)-3-(thiophen-2-yl)-2,5-dihydrofuran-2-one |
| IUPAC Name | 3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one |
| InChI | InChI=1S/C12H7ClO2S2/c13-10-4-3-8(17-10)7-6-15-12(14)11(7)9-2-1-5-16-9/h1-5H,6H2 |
| InChI Key | RCLLWMPOHNZNAO-UHFFFAOYSA-N |
| MDL Number | MFCD03948015 |
| Molecular Formula | C12H7ClO2S2 |
| Molecular Weight | 282.7658 |
| SMILES | ClC1SC(C2COC(=O)C=2C2SC=CC=2)=CC=1 |
| Synonyms | 4-(5-chlorothiophen-2-yl)-3-(thiophen-2-yl)-2,5-dihydrofuran-2-one,
748778-73-6,
Enamine_003633,
AC1M5FPX,
HMS1404F03,
ZINC3260926,
AKOS034461225,
IDI1_007276,
Z56851726,
3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one,
ZINC03260926,
CID2377702,
|
| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.756g/mol |
| Monoisotopic Mass | 281.958g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number