HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 6861433Generated: November 3, 2026
[(E)-[3-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea
https://huagongshe.com/en/chemical/6861433
Identifiers & Physical Properties
| CAS No. | 5445-15-8 |
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| Molecular formula | C10H12N6S2 |
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| Average molar mass | 280.4 g/mol |
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| Monoisotopic mass | 280.05648676 g/mol |
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| SMILES | NC(=S)N/N=C/c1cccc(/C=N/NC(N)=S)c1 |
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| InChIKey | BPBGBZSSUXXWPS-ACFHMISVSA-N |
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| PubChem CID | 6861433 |
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| ChEMBL | CHEMBL3197986 |
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Chemical & Physical Properties
| XLogP | 1.2 |
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| Topological polar surface area | 165 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 18 |
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| Formal charge | 0 |
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| Complexity | 322 |
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| Solubility | 4.1 [ug/mL] (The mean of the results at pH 7.4) |
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![[(E)-[3-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea molecular structure](/img/chemical/6861433.png)