2-(2-hydroxyethanesulfonyl)ethyl carbamimidothioate--4-methylbenzene-1-sulfonic acid (1/1)
Chemical Structure Depiction of
2-(2-hydroxyethanesulfonyl)ethyl carbamimidothioate--4-methylbenzene-1-sulfonic acid (1/1)
2-(2-hydroxyethanesulfonyl)ethyl carbamimidothioate--4-methylbenzene-1-sulfonic acid (1/1)
Compound characteristics
| Compound ID: | 1749-0053 |
| Compound Name: | 2-(2-hydroxyethanesulfonyl)ethyl carbamimidothioate--4-methylbenzene-1-sulfonic acid (1/1) |
| Molecular Weight: | 384.49 |
| Molecular Formula: | C5 H12 N2 O3 S2 |
| Salt: | p-CH3C6H4SO3H |
| Smiles: | C(CS(CCSC(N)=N)(=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | -2.222 |
| logD: | -2.9204 |
| logSw: | -0.8318 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 85.237 |
| InChI Key: | NGBUCDASVMHMMV-UHFFFAOYSA-N |