HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 54079663Generated: October 27, 2026
[3-Pentyl-2-(pentylimino)-4-oxo-5-thiazolidinylidene]acetic acid
https://huagongshe.com/en/chemical/54079663
Identifiers & Physical Properties
| Molecular formula | C15H24N2O3S |
|---|
| Average molar mass | 312.4 g/mol |
|---|
| Monoisotopic mass | 312.15076381 g/mol |
|---|
| SMILES | CCCCCN=C1SC(=CC(=O)O)C(=O)N1CCCCC |
|---|
| InChIKey | MMEPTAOKOJXOPD-UHFFFAOYSA-N |
|---|
| PubChem CID | 54079663 |
|---|
Chemical & Physical Properties
| XLogP | 3.8 |
|---|
| Topological polar surface area | 95.3 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 5 |
|---|
| Rotatable bonds | 9 |
|---|
| Heavy atoms | 21 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 433 |
|---|
![[3-Pentyl-2-(pentylimino)-4-oxo-5-thiazolidinylidene]acetic acid molecular structure](/img/chemical/54079663.png)