| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 15 | Yes |
Popular Name: [3-(Trifluoromethyl)phenylthio]acetic acid [3-(Trifluoromethyl)phenylthio]a…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 102582-93-4 , 349-83-7
2-{[3-(trifluoromethyl)phenyl]sulfanyl}acetic acid
[4-(Trifluoromethyl)phenylthio]acetic acid
{[3-(Trifluoromethyl)phenyl]sulfanyl}acetic acid
{[3-(Trifluoromethyl)phenyl]sulphanyl}acetic acid
{[3-(Trifluoromethyl)phenyl]sulphanyl}ethanoic acid, 3-[(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) | 2.49 | 2.42 | -43.3 | 0 | 2 | -1 | 40 | 235.206 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 114-118? | Alfa-Aesar |
| Melting_Point | 114-118° | Alfa-Aesar |
| MP | 19 - 21 | Enamine Building Blocks |
| MP | 19...21 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
