2-Methylpropenethioic acid S-[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl] ester (CAS 30769-91-6) — formula C13H9F15OS, molecular weight 498.25; category organic chemicals.
| CAS Number | 30769-91-6 |
|---|---|
| Molecular Formula | C13H9F15OS |
| Molecular Weight | 498.25 |
| LogP | 7.1 |
| Category | Organic Chemicals |
2-Methylpropenethioic acid S-[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl] ester is a carbon-based organic compound with CAS registry number 30769-91-6 and molecular formula C13H9F15OS (molecular weight 498.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 30769-91-6
Its molecular formula C13H9F15OS comprises 13 C, 9 H, 15 F, 1 O, 1 S atoms.
Also known as: 2-Methylpropenethioic acid S-[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl] ester · 2-甲基硫代丙烯酸S-[3,3,4,4,5,5,6,6,7,8,8,8-十二氟-7-(三氟甲基)辛基]酯
Category: organic chemicals
The CAS registry number of 2-Methylpropenethioic acid S-[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl] ester is 30769-91-6.
Molecular formula C13H9F15OS, molecular weight 498.25.
It is also registered under: 2-Methylpropenethioic acid S-[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl] ester, 2-甲基硫代丙烯酸S-[3,3,4,4,5,5,6,6,7,8,8,8-十二氟-7-(三氟甲基)辛基]酯.
Category: Organic Chemicals.
Independent reference data for 2-Methylpropenethioic acid S-[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl] ester (CAS 30769-91-6), compiled from public chemistry databases.
| CAS 号 | 30769-91-6 |
|---|---|
| PubChem CID | 3084519 |
| 分子式 | C13H9F15OS |
| IUPAC 名称 | S-[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl] 2-methylprop-2-enethioate |
| UNII（FDA） | NS00018922 |
| Molecular Weight | 498.25 |
|---|---|
| XLogP3 | 7.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 9 |
| Exact Mass | 498.0134585 |
| Monoisotopic Mass | 498.0134585 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 30 |
2-Propenethioic acid, 2-methyl-, S-(3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl) ester; 2-Propenethioic acid, 2-methyl-, S-[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl] ester; RefChem:479011; 30769-91-6; S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate; DTXSID3067574; LDEYRMSHMYWNMA-UHFFFAOYSA-N; S-[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl] 2-methylprop-2-enethioate; NS00018922
2-甲基硫代丙烯酸S-[3,3,4,4,5,5,6,6,7,8,8,8-十二氟-7-(三氟甲基)辛基]酯 · CAS 30769-91-6 · C13H9F15OS. UNII NS00018922.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.