HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 85643872Generated: October 25, 2026
[4-Oxo-4-(2-thiophenyl)-butylidene]bisphosphonic acid tetraethyl ester
https://huagongshe.com/en/chemical/85643872
Identifiers & Physical Properties
| Molecular formula | C16H28O7P2S |
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| Average molar mass | 426.4 g/mol |
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| SMILES | CCOP(=O)(OCC)C(CCC(=O)c1cccs1)P(=O)(OCC)OCC |
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| InChIKey | RUBRRCJWBATDFZ-UHFFFAOYSA-N |
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| PubChem CID | 85643872 |
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Chemical & Physical Properties
| XLogP | 2 |
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| Topological polar surface area | 116 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 14 |
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| Heavy atoms | 26 |
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| Formal charge | 0 |
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| Complexity | 479 |
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![[4-Oxo-4-(2-thiophenyl)-butylidene]bisphosphonic acid tetraethyl ester molecular structure](/img/chemical/85643872.png)