HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12831749Generated: October 30, 2026
2-[2-(5-Methyl-4-imidazolylmethylthio)ethylamino]-3-nitro-4,5-dihydropyrrole
https://huagongshe.com/en/chemical/12831749
Identifiers & Physical Properties
| CAS No. | 74188-64-0 |
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| Molecular formula | C11H17N5O2S |
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| Average molar mass | 283.35 g/mol |
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| Monoisotopic mass | 283.11029598 g/mol |
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| SMILES | Cc1[nH]cnc1CSCCNC1=C([N+](=O)[O-])CCN1 |
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| InChIKey | OHOFEMJCYPWXRL-UHFFFAOYSA-N |
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| PubChem CID | 12831749 |
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| ChEMBL | CHEMBL144809 |
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| DTXSID | DTXSID70876577 |
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Chemical & Physical Properties
| XLogP | 1.8 |
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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 | 19 |
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| Formal charge | 0 |
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| Complexity | 357 |
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| LogP (partition coefficient) | -0.87 |
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![2-[2-(5-Methyl-4-imidazolylmethylthio)ethylamino]-3-nitro-4,5-dihydropyrrole molecular structure](/img/chemical/12831749.png)