| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2008 | 9 | No |
Popular Name: S-[2-(DiMethylaMino)ethyl]isothiourea Dihydrochloride S-[2-(DiMethylaMino)ethyl]isothi…
Find On: PubMed — Wikipedia — Google
CAS Number: 16111-27-6
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.06 | 2 | -92.72 | 5 | 3 | 2 | 56 | 149.263 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | -0.54 | -31.62 | 4 | 3 | 1 | 55 | 148.255 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | -0.51 | -4.48 | 3 | 3 | 0 | 53 | 147.247 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 181 | TCI |
