| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2005 | 12 | No |
Popular Name: naphthalen-1-ylmethanethiol naphthalen-1-ylmethanethiol
Find On: PubMed — Wikipedia — Google
CAS Number: 5254-86-4
| 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) | 3.39 | 0.6 | -3.9 | 0 | 0 | 0 | 0 | 174.268 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | -0.36 | -47.76 | 0 | 0 | -1 | 0 | 173.26 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | US5863924; US5952331; US5958934 | IBM Patent Data |
