| CAS Number | 1153064-63-1 |
| Catalog Number | AG01ADAW(AGN-PC-0WO6IR) |
| Chemical Name | 2-(3-Aminopropyl)-1lambda6,2-thiazolidine-1,1-dione |
| IUPAC Name | 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine |
| InChI | InChI=1S/C6H14N2O2S/c7-3-1-4-8-5-2-6-11(8,9)10/h1-7H2 |
| InChI Key | TUMKUGXOTUQNIU-UHFFFAOYSA-N |
| MDL Number | MFCD12092981 |
| Molecular Formula | C6H14N2O2S |
| Molecular Weight | 178.2526 |
| SMILES | NCCCN1S(=O)(=O)CCC1 |
| Synonyms | 1153064-63-1,
2-(3-aminopropyl)-1lambda6,2-thiazolidine-1,1-dione,
ZINC36809164,
AKOS009811863,
MCULE-5636928993,
2-(3-aminopropyl)-1lambda,2-thiazolidine-1,1-dione,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.25g/mol |
| Monoisotopic Mass | 178.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
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Certificate of Analysis
Lot Number