| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 9 | No |
Popular Name: Cyclohexyl isothiocyanate Cyclohexyl isothiocyanate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 103-72-0 , 1122-82-3 , [1122-82-3]
| 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) | 3.51 | -1.15 | -1.46 | 0 | 1 | 0 | 12 | 141.239 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 21? | Alfa-Aesar |
| Melting_Point | 21° | Alfa-Aesar |
| BP | 219 | TCI |
| Boiling_Point | 219? | Alfa-Aesar |
| Boiling_Point | 219° | Alfa-Aesar |
| Boiling_Point | 220-221? | Alfa-Aesar |
| Boiling_Point | 220-221° | Alfa-Aesar |
| BP | 220° | Fluorochem |
| Purity | 98% | Fluorochem |
| Warnings | Corrosive/Irritant-Harmful | Matrix Scientific |
| Warnings | IRRITANT-HARMFUL, CORROSIVE | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.