HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12831748Generated: November 3, 2026
2-[2-(5-Methyl-4-imidazolylmethylthio)ethyl-amino]-3-nitro-1,4,5,6-tetrahydropyridine
https://huagongshe.com/en/chemical/12831748
Identifiers & Physical Properties
| Molecular formula | C12H19N5O2S |
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| Average molar mass | 297.38 g/mol |
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| Monoisotopic mass | 297.12594604 g/mol |
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| SMILES | Cc1[nH]cnc1CSCCNC1=C([N+](=O)[O-])CCCN1 |
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| InChIKey | DEEYHFRIIMBHDY-UHFFFAOYSA-N |
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| PubChem CID | 12831748 |
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Chemical & Physical Properties
| XLogP | 2.2 |
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| Topological polar surface area | 124 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 20 |
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| Formal charge | 0 |
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| Complexity | 371 |
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![2-[2-(5-Methyl-4-imidazolylmethylthio)ethyl-amino]-3-nitro-1,4,5,6-tetrahydropyridine molecular structure](/img/chemical/12831748.png)