| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 5 | No |
Popular Name: 2-aminopropane-1-thiol 2-aminopropane-1-thiol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10229-29-5 , 4145-98-6
2-Amino-1-propanethiol hydrochloride; LS-120991; Propanethiol, 2-amino-, hydrochloride
| 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) | -0.16 | 0.43 | -36.84 | 3 | 1 | 1 | 28 | 92.187 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.16 | 0.97 | -34.86 | 3 | 1 | 0 | 28 | 91.179 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.16 | 0.12 | -1.17 | 2 | 1 | 0 | 26 | 91.179 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 74 - 76 | Enamine Building Blocks |
| MP | 74...76 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.