| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 16th, 2006 | 16 | Yes |
Popular Name: 4-{[2-(methylthio)phenyl]amino}-4-oxobutanoic acid 4-{[2-(methylthio)phenyl]amino}-…
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CAS Numbers: 899016-21-8 , [899016-21-8]
4-((2-(Methylthio)phenyl)amino)-4-oxobutanoic acid
4-{[2-(methylsulfanyl)phenyl]amino}-4-oxobutanoic acid
4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoicacid
butanoic acid, 4-[[2-(methylthio)phenyl]amino]-4-oxo-
| 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) | 1.29 | -0.48 | -49.01 | 1 | 4 | -1 | 69 | 238.288 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
