methyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
methyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
methyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | K286-4382 |
| Compound Name: | methyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C11 H9 N3 O4 S2 |
| Smiles: | COC(C1=C(N)N(C(=S)S1)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9458 |
| logD: | 1.9458 |
| logSw: | -2.4994 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.67 |
| InChI Key: | VUZOSUKSGXBVDV-UHFFFAOYSA-N |