HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 210313Generated: November 4, 2026
Ethanethiol, 2-(4-methoxybutyl)amino-, hydrogen sulfate (ester)
https://huagongshe.com/en/chemical/210313
Identifiers & Physical Properties
| CAS No. | 21220-86-0 |
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| Molecular formula | C7H17NO4S2 |
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| Average molar mass | 243.3 g/mol |
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| Monoisotopic mass | 243.05990037 g/mol |
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| SMILES | COCCCCNCCSS(=O)(=O)O |
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| InChIKey | NCYUFRZUYNDRSP-UHFFFAOYSA-N |
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| PubChem CID | 210313 |
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| DTXSID | DTXSID90943593 |
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Chemical & Physical Properties
| XLogP | -2.6 |
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| Topological polar surface area | 109 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 14 |
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| Formal charge | 0 |
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| Complexity | 212 |
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