rel-(3aR,6aR)-3-(2H-1,3-benzodioxol-5-yl)-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
Chemical Structure Depiction of
rel-(3aR,6aR)-3-(2H-1,3-benzodioxol-5-yl)-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
rel-(3aR,6aR)-3-(2H-1,3-benzodioxol-5-yl)-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | D128-0001 |
| Compound Name: | rel-(3aR,6aR)-3-(2H-1,3-benzodioxol-5-yl)-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1) |
| Molecular Weight: | 393.28 |
| Molecular Formula: | C12 H12 N2 O4 S2 |
| Salt: | HBr |
| Smiles: | C1Oc2ccc(cc2O1)N1C(=N)S[C@H]2CS(C[C@@H]12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9597 |
| logD: | 0.9582 |
| logSw: | -2.3248 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.683 |
| InChI Key: | JKFHJPPARVRCSH-KCJUWKMLSA-N |