| CAS Number | 1094231-96-5 |
| Catalog Number | AG01A7R4 |
| Chemical Name | 2-thia-7-azaspiro[4.4]nonane-6,8-dione |
| IUPAC Name | 7-thia-2-azaspiro[4.4]nonane-1,3-dione |
| InChI | InChI=1S/C7H9NO2S/c9-5-3-7(6(10)8-5)1-2-11-4-7/h1-4H2,(H,8,9,10) |
| InChI Key | NSQVQHZPFVQGBJ-UHFFFAOYSA-N |
| MDL Number | MFCD11207850 |
| Molecular Formula | C7H9NO2S |
| Molecular Weight | 171.2169 |
| SMILES | O=C1NC(=O)C2(CSCC2)C1 |
| Synonyms | 2-thia-7-azaspiro[4.4]nonane-6,8-dione,
1094231-96-5,
AC1Q6EFI,
CTK7H5582,
AKOS009326669,
NE42012,
EN300-59579,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.214g/mol |
| Monoisotopic Mass | 171.035g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number