| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 15 | Yes |
Popular Name: [4-(Trifluoromethyl)phenylthio]acetic acid [4-(Trifluoromethyl)phenylthio]a…
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CAS Numbers: 102582-93-4 , 349-83-7
2-((4-(Trifluoromethyl)phenyl)thio)acetic acid
2-((4-(Trifluoromethyl)phenyl)thio)aceticacid
2-(4-(Trifluoromethyl)phenylthio)acetic acid
{[4-(Trifluoromethyl)phenyl]sulphanyl}acetic acid, 4-[(Carboxymethyl)thio]benzotrifluoride
| 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) | 2.51 | 2.42 | -41.87 | 0 | 2 | -1 | 40 | 235.206 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 114-118? | Alfa-Aesar |
| Melting_Point | 114-118° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.