| CAS Number | 1000932-78-4 |
| Catalog Number | AG019LBN |
| Chemical Name | 1-(1,1-dioxidotetrahydrothien-3-yl)-5-oxopyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C9H13NO5S/c11-8-3-6(9(12)13)4-10(8)7-1-2-16(14,15)5-7/h6-7H,1-5H2,(H,12,13) |
| InChI Key | LTTAUOWOFBCYRZ-UHFFFAOYSA-N |
| MDL Number | MFCD09814650 |
| Molecular Formula | C9H13NO5S |
| Molecular Weight | 247.2682 |
| SMILES | OC(C1CC(=O)N(C2CS(=O)(=O)CC2)C1)=O |
| Synonyms | 1000932-78-4,
1-(1,1-dioxo-1lambda6-thiolan-3-yl)-5-oxopyrrolidine-3-carboxylic acid,
1-(1,1-dioxidotetrahydrothien-3-yl)-5-oxopyrrolidine-3-carboxylic acid,
AC1Q74P5,
CTK7I6585,
AKOS000156023,
AKOS022474823,
MCULE-1238043566,
NE14511,
EN300-30719,
Z317046636,
1-(1,1-dioxo-1??-thiolan-3-yl)-5-oxopyrrolidine-3-carboxylic acid,
1-(1,1-dioxo-1lambda-thiolan-3-yl)-5-oxopyrrolidine-3-carboxylic acid,
|
| Complexity | 424 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.265g/mol |
| Monoisotopic Mass | 247.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number