HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 53801351Generated: October 27, 2026
2-(5-Cyanothienylimino)-1-isobutyl-3-thia-1-azaspiro[4.4]nonane
https://huagongshe.com/en/chemical/53801351
Identifiers & Physical Properties
| Molecular formula | C16H21N3S2 |
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| Average molar mass | 319.5 g/mol |
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| Monoisotopic mass | 319.11769003 g/mol |
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| SMILES | CC(C)CN1C(=Nc2ccc(C#N)s2)SCC12CCCC2 |
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| InChIKey | FIQCAHGTACJTKU-UHFFFAOYSA-N |
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| PubChem CID | 53801351 |
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Chemical & Physical Properties
| XLogP | 4.8 |
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| Topological polar surface area | 92.9 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 21 |
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| Formal charge | 0 |
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| Complexity | 459 |
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![2-(5-Cyanothienylimino)-1-isobutyl-3-thia-1-azaspiro[4.4]nonane molecular structure](/img/chemical/53801351.png)