| CAS Number | 1153126-36-3 |
| Catalog Number | AG01A9W6(AGN-PC-0WOVLA) |
| Chemical Name | 3-(4-Hydroxybutyl)-1,3-thiazolidine-2,4-dione |
| IUPAC Name | 3-(4-hydroxybutyl)-1,3-thiazolidine-2,4-dione |
| InChI | InChI=1S/C7H11NO3S/c9-4-2-1-3-8-6(10)5-12-7(8)11/h9H,1-5H2 |
| InChI Key | WYAXFFNNECRKAT-UHFFFAOYSA-N |
| MDL Number | MFCD12186776 |
| Molecular Formula | C7H11NO3S |
| Molecular Weight | 189.2321 |
| SMILES | OCCCCN1C(=O)SCC1=O |
| Synonyms | 3-(4-hydroxybutyl)-1,3-thiazolidine-2,4-dione,
1153126-36-3,
AC1Q7CRK,
ZINC35650057,
AKOS009561312,
MCULE-8783159869,
NE15462,
EN300-66343,
Z1263529777,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.229g/mol |
| Monoisotopic Mass | 189.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 82.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number