| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 15 | Yes |
Popular Name: 2-[(2-carboxyethyl)sulfanyl]nicotinic acid 2-[(2-carboxyethyl)sulfanyl]nico…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 286472-02-4 , [286472-02-4]
| 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) | 0.68 | 4.16 | -104.68 | 0 | 5 | -2 | 93 | 225.225 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 2.030000000000000e+002 - 2.050000000000000e+002 | KeyOrganics |
| melting_point | 203 - 205 | KeyOrganics |
| MP | 203-205° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
