| CAS Number | 1785450-70-5 |
| Catalog Number | AG01DYYI |
| Chemical Name | 1,1-dioxo-1lambda6-thietane-2-carboxylic acid |
| IUPAC Name | 1,1-dioxothietane-2-carboxylic acid |
| InChI | InChI=1S/C4H6O4S/c5-4(6)3-1-2-9(3,7)8/h3H,1-2H2,(H,5,6) |
| InChI Key | WCZPHNHOIGWYQX-UHFFFAOYSA-N |
| MDL Number | MFCD31616407 |
| Molecular Formula | C4H6O4S |
| Molecular Weight | 150.1530 |
| SMILES | OC(C1S(=O)(=O)CC1)=O |
| Synonyms | 1,1-dioxo-1lambda6-thietane-2-carboxylic acid,
1785450-70-5,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.148g/mol |
| Monoisotopic Mass | 149.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number