HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 39713Generated: November 3, 2026
Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester
https://huagongshe.com/en/chemical/39713
Identifiers & Physical Properties
| CAS No. | 50539-90-7 |
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| Molecular formula | C17H18BrNO3S |
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| Average molar mass | 396.3 g/mol |
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| Monoisotopic mass | 395.01908 g/mol |
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| SMILES | CC(C)Oc1ccccc1OC(=O)NCSc1ccc(Br)cc1 |
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| InChIKey | DLPPASMTYJSDIU-UHFFFAOYSA-N |
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| PubChem CID | 39713 |
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| DTXSID | DTXSID80198570 |
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Chemical & Physical Properties
| XLogP | 4.5 |
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| Topological polar surface area | 72.9 |
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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 | 23 |
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| Formal charge | 0 |
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| Complexity | 362 |
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