| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 13 | No |
Popular Name: 4-Methoxybenzoyl isothiocyanate 4-Methoxybenzoyl isothiocyanate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 16778-84-0 , [16778-84-0]
| 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) | 2.70 | -0.37 | -6.82 | 0 | 3 | 0 | 39 | 193.227 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 122°/1mm | Fluorochem |
| MP | 23-25° | Fluorochem |
| Purity | 98% | Fluorochem |
| Warnings | IRRITANT-HARMFUL | Matrix Scientific |
