HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3078639Generated: November 4, 2026
Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol
https://huagongshe.com/en/chemical/3078639
Identifiers & Physical Properties
| CAS No. | 122033-04-9 |
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| Molecular formula | C14H9N3S2 |
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| Average molar mass | 283.4 g/mol |
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| Monoisotopic mass | 283.02378965 g/mol |
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| SMILES | Sc1ccc2c(c1)-n1cnnc1-c1ccccc1S2 |
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| InChIKey | GZARPHHQXRHNDY-UHFFFAOYSA-N |
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| PubChem CID | 3078639 |
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| DTXSID | DTXSID40153483 |
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Chemical & Physical Properties
| XLogP | 4.4 |
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| Topological polar surface area | 57 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 19 |
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| Formal charge | 0 |
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| Complexity | 341 |
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