HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 58828708Generated: November 3, 2026
6-[(1H-Imidazol-1-yl)(phenyl)methyl]-1,3-benzothiazol-2(3H)-one
https://huagongshe.com/en/chemical/58828708
Identifiers & Physical Properties
| CAS No. | 848925-08-6 |
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| Molecular formula | C17H13N3OS |
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| Average molar mass | 307.4 g/mol |
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| Monoisotopic mass | 307.07793322 g/mol |
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| SMILES | O=c1[nH]c2ccc(C(c3ccccc3)n3ccnc3)cc2s1 |
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| InChIKey | YUIAEBQBJVHDKE-UHFFFAOYSA-N |
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| PubChem CID | 58828708 |
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| DTXSID | DTXSID80730358 |
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Chemical & Physical Properties
| XLogP | 3.1 |
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| Topological polar surface area | 72.2 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 22 |
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| Formal charge | 0 |
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| Complexity | 413 |
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![6-[(1H-Imidazol-1-yl)(phenyl)methyl]-1,3-benzothiazol-2(3H)-one molecular structure](/img/chemical/58828708.png)