In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2005 | 9 | No |
Popular Name: 2-Pyridineethanethiol 2-Pyridineethanethiol
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CAS Number: 2044-28-2
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) | 1.27 | 4.35 | -3.7 | 0 | 1 | 0 | 13 | 139.223 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.27 | 4.9 | -47.64 | 0 | 1 | -1 | 13 | 138.215 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.27 | 4.63 | -31.55 | 1 | 1 | 1 | 14 | 140.231 | 2 | ↓ |