| CAS Number | 87419-51-0 |
| Catalog Number | AG01BS81(AGN-PC-00GQH1) |
| Chemical Name | 2,3-Dihydro-1λ6-thiophene-1,1,3-trione |
| IUPAC Name | 1,1-dioxothiophen-3-one |
| InChI | InChI=1S/C4H4O3S/c5-4-1-2-8(6,7)3-4/h1-2H,3H2 |
| InChI Key | CHGIHNHFMQGPDX-UHFFFAOYSA-N |
| MDL Number | MFCD24688277 |
| Molecular Formula | C4H4O3S |
| Molecular Weight | 132.1378 |
| SMILES | S1(CC(C=C1)=O)(=O)=O |
| Synonyms | 87419-51-0,
2,3-dihydro-1lambda6-thiophene-1,1,3-trione,
3-Oxo-2,3-dihydrothiophene 1,1-dioxide,
2-thiolen-4-one S,S-dioxide,
SCHEMBL1412704,
CHGIHNHFMQGPDX-UHFFFAOYSA-,
2,3-Dihydro-3-oxothiophene 1,1-dioxide,
InChI=1/C4H4O3S/c5-4-1-2-8(6,7)3-4/h1-2H,3H2,
1,1-dioxothiophen-3-one,
CID11815393,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.133g/mol |
| Monoisotopic Mass | 131.988g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number