2-bromo-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl carbamimidothioate--hydrogen bromide (1/1)
Chemical Structure Depiction of
2-bromo-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl carbamimidothioate--hydrogen bromide (1/1)
2-bromo-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl carbamimidothioate--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 4971-0003 |
| Compound Name: | 2-bromo-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl carbamimidothioate--hydrogen bromide (1/1) |
| Molecular Weight: | 423.12 |
| Molecular Formula: | C12 H12 Br N3 O2 S |
| Salt: | HBr |
| Smiles: | C(C(CSC(N)=N)[Br])N1C(c2ccccc2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4613 |
| logD: | -0.5848 |
| logSw: | -2.3557 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.534 |
| InChI Key: | OJUSCQREQPQHPZ-ZETCQYMHSA-N |