HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 4875889Generated: November 1, 2026
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
https://huagongshe.com/en/chemical/4875889
Identifiers & Physical Properties
| CAS No. | 791092-35-8 |
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| Molecular formula | C18H23N3O3S3 |
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| Average molar mass | 425.6 g/mol |
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| Monoisotopic mass | 425.09015512 g/mol |
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| SMILES | CC1CCc2c(sc3ncnc(SCC(=O)N(C)C4CCS(=O)(=O)C4)c23)C1 |
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| InChIKey | KOBDYNZIRHPFFW-UHFFFAOYSA-N |
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| PubChem CID | 4875889 |
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| ChEMBL | CHEMBL1721323 |
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| DTXSID | DTXSID901333089 |
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Chemical & Physical Properties
| XLogP | 3.2 |
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| Topological polar surface area | 142 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 27 |
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| Formal charge | 0 |
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| Complexity | 668 |
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| Solubility | 3.3 [ug/mL] (The mean of the results at pH 7.4) |
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![N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide molecular structure](/img/chemical/4875889.png)