HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 22981237Generated: November 3, 2026
N-(2-methoxy-5-thioureidophenylmethyl)carbamic acid t-butyl ester
https://huagongshe.com/en/chemical/22981237
Identifiers & Physical Properties
| Molecular formula | C14H21N3O3S |
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| Average molar mass | 311.4 g/mol |
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| Monoisotopic mass | 311.13036271 g/mol |
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| SMILES | COc1ccc(NC(N)=S)cc1CNC(=O)OC(C)(C)C |
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| InChIKey | IGVNAQIJKJCDAK-UHFFFAOYSA-N |
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| PubChem CID | 22981237 |
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Chemical & Physical Properties
| XLogP | 1.6 |
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| Topological polar surface area | 118 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 21 |
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| Formal charge | 0 |
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| Complexity | 371 |
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