2-(octane-1-sulfonyl)ethyl carbamimidothioate--phosphoric acid (1/1)
Chemical Structure Depiction of
2-(octane-1-sulfonyl)ethyl carbamimidothioate--phosphoric acid (1/1)
2-(octane-1-sulfonyl)ethyl carbamimidothioate--phosphoric acid (1/1)
Compound characteristics
| Compound ID: | 8010-5607 |
| Compound Name: | 2-(octane-1-sulfonyl)ethyl carbamimidothioate--phosphoric acid (1/1) |
| Molecular Weight: | 378.44 |
| Molecular Formula: | C11 H24 N2 O2 S2 |
| Salt: | H3PO4 |
| Smiles: | CCCCCCCCS(CCSC(N)=N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1078 |
| logD: | 1.4094 |
| logSw: | -2.2608 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.581 |
| InChI Key: | SMJAISZBCJPDQC-UHFFFAOYSA-N |