HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2139147Generated: November 4, 2026
2-((3Z)-3-(3-Isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL)-N-(2-methylphenyl)acetamide
https://huagongshe.com/en/chemical/2139147
Identifiers & Physical Properties
| CAS No. | 618072-91-6 |
|---|
| Molecular formula | C23H21N3O3S2 |
|---|
| Average molar mass | 451.6 g/mol |
|---|
| Monoisotopic mass | 451.10243389 g/mol |
|---|
| SMILES | Cc1ccccc1NC(=O)CN1C(=O)/C(=C2\SC(=S)N(C(C)C)C2=O)c2ccccc21 |
|---|
| InChIKey | IKIULHJXBXKYIN-VXPUYCOJSA-N |
|---|
| PubChem CID | 2139147 |
|---|
| EC No. | 637-806-2 |
|---|
Chemical & Physical Properties
| XLogP | 3.9 |
|---|
| Topological polar surface area | 127 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 5 |
|---|
| Rotatable bonds | 4 |
|---|
| Heavy atoms | 31 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 825 |
|---|
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|