6-fluoro-2-trifluoromethyl-9-(3-iodopropyl)-9H-thioxanthene (CAS 85721-04-6) — formula C17H13F4IS, molecular weight 452.2; category organic chemicals.
| CAS Number | 85721-04-6 |
|---|---|
| Molecular Formula | C17H13F4IS |
| Molecular Weight | 452.2 |
| LogP | 7.1 |
| Category | Organic Chemicals |
6-fluoro-2-trifluoromethyl-9-(3-iodopropyl)-9H-thioxanthene is a carbon-based organic compound with CAS registry number 85721-04-6 and molecular formula C17H13F4IS (molecular weight 452.2), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85721-04-6
Its molecular formula C17H13F4IS comprises 17 C, 13 H, 4 F, 1 I, 1 S atoms.
Also known as: 6-fluoro-2-trifluoromethyl-9-(3-iodopropyl)-9H-thioxanthene · 6-氟-2-三氟甲基-9-(3-碘丙基)-9H-噻吨
Category: organic chemicals
The CAS registry number of 6-fluoro-2-trifluoromethyl-9-(3-iodopropyl)-9H-thioxanthene is 85721-04-6.
Molecular formula C17H13F4IS, molecular weight 452.2.
It is also registered under: 6-fluoro-2-trifluoromethyl-9-(3-iodopropyl)-9H-thioxanthene, 6-氟-2-三氟甲基-9-(3-碘丙基)-9H-噻吨.
Category: Organic Chemicals.
Independent reference data for 6-fluoro-2-trifluoromethyl-9-(3-iodopropyl)-9H-thioxanthene (CAS 85721-04-6), compiled from public chemistry databases.
| CAS 号 | 85721-04-6 |
|---|---|
| PubChem CID | 3020942 |
| 分子式 | C17H13F4IS |
| IUPAC 名称 | 6-fluoro-9-(3-iodopropyl)-2-(trifluoromethyl)-9H-thioxanthene |
| UNII（FDA） | NS00064573 |
| Molecular Weight | 452.2 |
|---|---|
| XLogP3 | 7.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 451.97188 |
| Monoisotopic Mass | 451.97188 |
| Topological Polar Surface Area | 25.3 |
| Heavy Atom Count | 23 |
85721-04-6; EINECS 288-413-4; 6-Fluoro-2-trifluoromethyl-9-(3-iodopropyl)-9H-thioxanthene; 6-fluoro-9-(3-iodopropyl)-2-(trifluoromethyl)-9H-thioxanthene; FXKLTDSAOBKIMJ-UHFFFAOYSA-N; DTXSID801006328; NS00064573
6-氟-2-三氟甲基-9-(3-碘丙基)-9H-噻吨 · CAS 85721-04-6 · C17H13F4IS. UNII NS00064573.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.