| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 10 | No |
Popular Name: 1,4-BENZENEDIMETHANETHIOL 1,4-BENZENEDIMETHANETHIOL
Find On: PubMed — Wikipedia — Google
CAS Number: 105-09-9
| 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) | 2.52 | -0.19 | -2.84 | 0 | 0 | 0 | 0 | 170.302 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | -2.1 | -93.57 | 0 | 0 | -2 | 0 | 168.286 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | -1.14 | -43.05 | 0 | 0 | -1 | 0 | 169.294 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 156 / 12 | TCI |
| MP | 43 | TCI |
| Purity | 98%min | APIChem |
