HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 157449929Generated: November 2, 2026
1-[(4-Chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-dione;(4-chlorophenyl)methylthiourea;(nitrosomethyl-lambda3-chloranylidene)methanone
https://huagongshe.com/en/chemical/157449929
Identifiers & Physical Properties
| Molecular formula | C21H21Cl3N6O4S |
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| Average molar mass | 559.9 g/mol |
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| SMILES | CC1=NC(=O)NC(=O)N1CC2=CC=C(C=C2)Cl.C1=CC(=CC=C1CNC(=S)N)Cl.C(N=O)Cl=C=O |
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| InChIKey | BSRIBPFRTLLWBW-UHFFFAOYSA-N |
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| PubChem CID | 157449929 |
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Chemical & Physical Properties
| Topological polar surface area | 178 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 35 |
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| Formal charge | 0 |
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| Complexity | 602 |
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![1-[(4-Chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-dione;(4-chlorophenyl)methylthiourea;(nitrosomethyl-lambda3-chloranylidene)methanone molecular structure](/img/chemical/157449929.png)