| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 12 | No |
Popular Name: MFCD00456621 MFCD00456621
Find On: PubMed — Wikipedia — Google
CAS Number: 247109-21-3
4-(2-Amino-ethylamino)-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol
4-(2-Amino-ethylamino)-1,1-dioxo-tetrahydro-thiophen-3-ol
4-(2-Aminoethylamino)-1,1-dioxotetrahydro-1lambda-*6*-thiophen-3-ol
| 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) | -2.49 | -7.06 | -55.5 | 5 | 5 | 1 | 94 | 195.264 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.49 | -5.01 | -90.7 | 5 | 5 | 1 | 101 | 195.264 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.49 | -7.44 | -12.07 | 4 | 5 | 0 | 92 | 194.256 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.49 | -6.2 | -52.67 | 5 | 5 | 1 | 97 | 195.264 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
