HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2139124Generated: November 4, 2026
(3Z)-5-Bromo-3-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-propyl-1,3-dihydro-2H-indol-2-one
https://huagongshe.com/en/chemical/2139124
Identifiers & Physical Properties
| CAS No. | 617698-14-3 |
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| Molecular formula | C17H17BrN2O3S2 |
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| Average molar mass | 441.4 g/mol |
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| Monoisotopic mass | 439.9864 g/mol |
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| SMILES | CCCN1C(=O)/C(=C2\SC(=S)N(CCOC)C2=O)c2cc(Br)ccc21 |
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| InChIKey | HTZLYDVJCUAVSC-YPKPFQOOSA-N |
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| PubChem CID | 2139124 |
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| EC No. | 638-547-8 |
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Chemical & Physical Properties
| XLogP | 3.3 |
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| Topological polar surface area | 107 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 25 |
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| Formal charge | 0 |
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| Complexity | 625 |
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Safety & Regulations
| GHS classification | WarningH400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, 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. |
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| Hazard Classes and Categories | Aquatic Acute 1 (100%) |
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![(3Z)-5-Bromo-3-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-propyl-1,3-dihydro-2H-indol-2-one molecular structure](/img/chemical/2139124.png)