| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | Yes |
Popular Name: methyl 5-chloro-6-(phenylsulfanyl)nicotinate methyl 5-chloro-6-(phenylsulfany…
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CAS Number: 885951-48-4
| 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) | 3.61 | 1.25 | -5.76 | 0 | 3 | 0 | 39 | 279.748 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.000000000000000e+002 - 1.030000000000000e+002 | KeyOrganics |
| melting_point | 100 - 103 | KeyOrganics |
| MP | 100-103° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
