In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2004 | 17 | Yes |
Popular Name: Sodium 3-(benzothiazol-2-ylthio)-1-propanesulfonate Sodium 3-(benzothiazol-2-ylthio)…
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CAS Numbers: 49625-94-7 , [49625-94-7]
3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid
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) | 0.45 | -8.07 | -46.5 | 0 | 4 | -1 | 70 | 288.395 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 1.01e-01 g/l | DrugBank-experimental |
No pre-computed analogs available. Try a structural similarity search.