4-[3-[(trifluoromethyl)thio]phenyl]piperazine-1-propiononitrile monohydrochloride (CAS 50786-82-8) — formula C14H17ClF3N3S, molecular weight 351.8; category organic chemicals.
| CAS Number | 50786-82-8 |
|---|---|
| Molecular Formula | C14H17ClF3N3S |
| Molecular Weight | 351.8 |
| Category | Organic Chemicals |
4-[3-[(trifluoromethyl)thio]phenyl]piperazine-1-propiononitrile monohydrochloride is a carbon-based organic compound with CAS registry number 50786-82-8 and molecular formula C14H17ClF3N3S (molecular weight 351.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 50786-82-8
Its molecular formula C14H17ClF3N3S comprises 14 C, 17 H, 1 Cl, 3 F, 3 N, 1 S atoms.
Also known as: 4-[3-[(trifluoromethyl)thio]phenyl]piperazine-1-propiononitrile monohydrochloride · 4-[3-[(三氟甲基)硫基]苯基]哌嗪-1-丙腈单盐酸盐
Category: organic chemicals
The CAS registry number of 4-[3-[(trifluoromethyl)thio]phenyl]piperazine-1-propiononitrile monohydrochloride is 50786-82-8.
Molecular formula C14H17ClF3N3S, molecular weight 351.8.
It is also registered under: 4-[3-[(trifluoromethyl)thio]phenyl]piperazine-1-propiononitrile monohydrochloride, 4-[3-[(三氟甲基)硫基]苯基]哌嗪-1-丙腈单盐酸盐.
Category: Organic Chemicals.
Independent reference data for 4-[3-[(trifluoromethyl)thio]phenyl]piperazine-1-propiononitrile monohydrochloride (CAS 50786-82-8), compiled from public chemistry databases.
| CAS 号 | 50786-82-8 |
|---|---|
| PubChem CID | 21428330 |
| 分子式 | C14H17ClF3N3S |
| IUPAC 名称 | 3-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]propanenitrile;hydrochloride |
| UNII（FDA） | NS00058309 |
| Molecular Weight | 351.8 |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 351.0783809 |
| Monoisotopic Mass | 351.0783809 |
| Topological Polar Surface Area | 55.6 |
| Heavy Atom Count | 22 |
50786-82-8; EINECS 256-761-6; 4-[3-[(trifluoromethyl)thio]phenyl]piperazine-1-propiononitrile monohydrochloride; 4-(3-((Trifluoromethyl)thio)phenyl)piperazine-1-propiononitrile monohydrochloride; SCHEMBL11737084; DTXSID80965022; NS00058309; 3-(4-{3-[(Trifluoromethyl)sulfanyl]phenyl}piperazin-1-yl)propanenitrile--hydrogen chloride (1/1)
4-[3-[(三氟甲基)硫基]苯基]哌嗪-1-丙腈单盐酸盐 · CAS 50786-82-8 · C14H17ClF3N3S. UNII NS00058309.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.