4-chloro-6-(3-nitroanilino)-1,3,5-triazin-2-yl diethylcarbamodithioate
Chemical Structure Depiction of
4-chloro-6-(3-nitroanilino)-1,3,5-triazin-2-yl diethylcarbamodithioate
4-chloro-6-(3-nitroanilino)-1,3,5-triazin-2-yl diethylcarbamodithioate
Compound characteristics
| Compound ID: | Y020-5778 |
| Compound Name: | 4-chloro-6-(3-nitroanilino)-1,3,5-triazin-2-yl diethylcarbamodithioate |
| Molecular Weight: | 398.89 |
| Molecular Formula: | C14 H15 Cl N6 O2 S2 |
| Smiles: | CCN(CC)C(=S)Sc1nc(Nc2cccc(c2)[N+]([O-])=O)nc(n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2242 |
| logD: | 5.2242 |
| logSw: | -5.7088 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.093 |
| InChI Key: | JYZRPSHHUZNJAP-UHFFFAOYSA-N |