| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 20 | Yes |
Popular Name: 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoic acid 2-[(4,6-Dimethoxypyrimidin-2-yl)…
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CAS Number: 110284-79-2
2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoicacid
Benzoic acid,2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-
| 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) | 2.57 | -2.76 | -56.07 | 0 | 6 | -1 | 84 | 291.308 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 129 - 130° | Fluorochem |
| MP | 129-130° | Matrix Scientific |
| Purity | 95%+ | Fluorochem |
| Warnings | Irritant | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.