In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 13 | Yes |
Popular Name: 3-[4-(Methylthio)phenyl]propionic acid 3-[4-(Methylthio)phenyl]propioni…
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CAS Numbers: 138485-81-1 , [138485-81-1]
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) | 2.31 | 6.76 | -45.75 | 0 | 2 | -1 | 40 | 195.263 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 100-102° | Matrix Scientific |
Purity | 97% | Matrix Scientific |
Melting_Point | 97-102? | Alfa-Aesar |
Melting_Point | 97-102° | Alfa-Aesar |
Warnings | IRRITANT | Matrix Scientific |