In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2005 | 10 | No |
Popular Name: 2,5-Difluorobenzyl mercaptan 2,5-Difluorobenzyl mercaptan
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CAS Numbers: 886497-92-3 , N/A
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) | 2.48 | 5.45 | -2.99 | 0 | 0 | 0 | 0 | 160.188 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 5.99 | -43.16 | 0 | 0 | -1 | 0 | 159.18 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Purity | 97% | Fluorochem |
PUBCHEM_PATENT_ID | US4952580 | IBM Patent Data |