HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 71813570Generated: October 31, 2026
S-(4-Methylphenyl) {[(benzyloxy)carbonyl]amino}ethanethioate
https://huagongshe.com/en/chemical/71813570
Identifiers & Physical Properties
| CAS No. | 5648-99-7 |
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| Molecular formula | C17H17NO3S |
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| Average molar mass | 315.4 g/mol |
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| Monoisotopic mass | 315.09291458 g/mol |
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| SMILES | Cc1ccc(SC(=O)CNC(=O)OCc2ccccc2)cc1 |
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| InChIKey | HFTUQCRXFPEXQN-UHFFFAOYSA-N |
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| PubChem CID | 71813570 |
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| DTXSID | DTXSID901166371 |
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Chemical & Physical Properties
| XLogP | 3.8 |
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| Topological polar surface area | 80.7 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 22 |
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| Formal charge | 0 |
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| Complexity | 361 |
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![S-(4-Methylphenyl) {[(benzyloxy)carbonyl]amino}ethanethioate molecular structure](/img/chemical/71813570.png)