HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 19085095Generated: October 26, 2026
3-Aminomethyl-4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazole ditosylate
https://huagongshe.com/en/chemical/19085095
Identifiers & Physical Properties
| Molecular formula | C31H33ClN4O7S3 |
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| Average molar mass | 705.3 g/mol |
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| SMILES | CCc1cc(C(=O)c2ccccc2Cl)c(-n2c(C)nnc2CN)s1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1 |
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| InChIKey | SCKUKWNJFCRIRI-UHFFFAOYSA-N |
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| PubChem CID | 19085095 |
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Chemical & Physical Properties
| Topological polar surface area | 228 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 11 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 46 |
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| Formal charge | 0 |
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| Complexity | 661 |
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![3-Aminomethyl-4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazole ditosylate molecular structure](/img/chemical/19085095.png)