| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | No |
Popular Name: 1-[4-(Trifluoromethyl)phenyl]-2-thiourea 1-[4-(Trifluoromethyl)phenyl]-2-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1736-72-7 , [1736-72-7]
1-(4-(Trifluoromethyl)phenyl)thiourea
4-(Carbamothioylamino)benzotrifluoride, 4-Thioureidobenzotrifluoride
4-(Trifluoromethyl)phenylthiourea 97%
N-(alpha,alpha,alpha-Trifluoro-p-tolyl)thiourea
N-[4-(trifluoromethyl)phenyl]thiourea
N-[4-(Trifluoromethyl)phenyl]thiourea, 98%
| 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) | 1.87 | 4.4 | -13 | 3 | 2 | 0 | 38 | 220.219 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 131 - 133 | KeyOrganics |
| MP | 132 - 134 | Enamine Building Blocks |
| MP | 132...134 | Enamine Building Blocks |
| Melting_Point | 142-146? | Alfa-Aesar |
| Melting_Point | 142-146° | Alfa-Aesar |
| MP | 143 - 145 | Enamine Building Blocks |
| MP | 144-145° | Fluorochem |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | WO1996040673A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.