5-(BENZO-[B]-THIOPHEN-3-YL)-3-(TRIFLUOROMETHYL)PYRAZOLE (CAS 4099-11-0) — formula C12H7F3N2S, molecular weight 268.26; category organic chemicals.
| CAS Number | 4099-11-0 |
|---|---|
| Molecular Formula | C12H7F3N2S |
| Molecular Weight | 268.26 |
| LogP | 3.8 |
| Category | Organic Chemicals |
5-(BENZO-[B]-THIOPHEN-3-YL)-3-(TRIFLUOROMETHYL)PYRAZOLE is a carbon-based organic compound with CAS registry number 4099-11-0 and molecular formula C12H7F3N2S (molecular weight 268.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4099-11-0
Its molecular formula C12H7F3N2S comprises 12 C, 7 H, 3 F, 2 N, 1 S atoms.
Also known as: 5-(BENZO-[B]-THIOPHEN-3-YL)-3-(TRIFLUOROMETHYL)PYRAZOLE · 5-(苯并-[B]-噻吩-3-YL)-3-(三氟甲基)吡唑
Category: organic chemicals
The CAS registry number of 5-(BENZO-[B]-THIOPHEN-3-YL)-3-(TRIFLUOROMETHYL)PYRAZOLE is 4099-11-0.
Molecular formula C12H7F3N2S, molecular weight 268.26.
It is also registered under: 5-(BENZO-[B]-THIOPHEN-3-YL)-3-(TRIFLUOROMETHYL)PYRAZOLE, 5-(苯并-[B]-噻吩-3-YL)-3-(三氟甲基)吡唑.
Category: Organic Chemicals.
Independent reference data for 5-(BENZO-[B]-THIOPHEN-3-YL)-3-(TRIFLUOROMETHYL)PYRAZOLE (CAS 4099-11-0), compiled from public chemistry databases.
| CAS 号 | 4099-11-0 |
|---|---|
| PubChem CID | 57349814 |
| 分子式 | C12H7F3N2S |
| IUPAC 名称 | 3-(1-benzothiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole |
| UNII（FDA） | C12H7F3N2S |
| Molecular Weight | 268.26 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 268.02820389 |
| Monoisotopic Mass | 268.02820389 |
| Topological Polar Surface Area | 56.9 |
| Heavy Atom Count | 18 |
4099-11-0; 5-(benzo-[b]-thiophen-3-yl)-3-(trifluoromethyl)pyrazole; 3-(1-benzothiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole; 95072-83-6; 5-(Benzo[b]thiophen-3-yl)-3-(trifluoromethyl)-1H-pyrazole; C12H7F3N2S; DTXSID50721970; MFCD07779629; AKOS016015432; 3-(benzothiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole; 5-(1-Benzothiophen-3-Yl)-3-(Trifluoromethyl)-1H-Pyrazole; 5-(Benzo-[b]-thiophen-3-yl)-3-(trifluoromethyl)pyrazole_x000D_
5-(苯并-[B]-噻吩-3-YL)-3-(三氟甲基)吡唑 · CAS 4099-11-0 · C12H7F3N2S. UNII C12H7F3N2S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.