| CAS Number | 15441-09-5 |
| Catalog Number | AG01A6WD |
| Chemical Name | 1lambda6,2-thiazolidine-1,1,3-trione |
| IUPAC Name | 1,1-dioxo-1,2-thiazolidin-3-one |
| InChI | InChI=1S/C3H5NO3S/c5-3-1-2-8(6,7)4-3/h1-2H2,(H,4,5) |
| InChI Key | ASJJYLPJOJGZAW-UHFFFAOYSA-N |
| MDL Number | MFCD08456668 |
| Molecular Formula | C3H5NO3S |
| Molecular Weight | 135.1417 |
| SMILES | O=C1NS(=O)(=O)CC1 |
| Synonyms | 15441-09-5,
1lambda6,2-thiazolidine-1,1,3-trione,
isothiazolidin-3-one-1,1-dioxide,
SCHEMBL824766,
isothiazolidin-3-one S,S-dioxide,
ZINC95348326,
1lambda,2-thiazolidine-1,1,3-trione,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.137g/mol |
| Monoisotopic Mass | 134.999g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number