Octanoic acid, 6,8-bis[(phenylMethyl)thio]- (CAS 95809-78-2) — formula C22H28O2S2, molecular weight 388.6; category organic chemicals.
| CAS Number | 95809-78-2 |
|---|---|
| Molecular Formula | C22H28O2S2 |
| Molecular Weight | 388.6 |
| LogP | 5.5 |
| Category | Organic Chemicals |
Octanoic acid, 6,8-bis[(phenylMethyl)thio]- is a carbon-based organic compound with CAS registry number 95809-78-2 and molecular formula C22H28O2S2 (molecular weight 388.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 95809-78-2
Its molecular formula C22H28O2S2 comprises 22 C, 28 H, 2 O, 2 S atoms.
Also known as: Octanoic acid, 6,8-bis[(phenylMethyl)thio]- · 6,8-双(苄硫基)辛酸
Category: organic chemicals
The CAS registry number of Octanoic acid, 6,8-bis[(phenylMethyl)thio]- is 95809-78-2.
Molecular formula C22H28O2S2, molecular weight 388.6.
It is also registered under: Octanoic acid, 6,8-bis[(phenylMethyl)thio]-, 6,8-双(苄硫基)辛酸.
Category: Organic Chemicals.
Independent reference data for Octanoic acid, 6,8-bis[(phenylMethyl)thio]- (CAS 95809-78-2), compiled from public chemistry databases.
| CAS 号 | 95809-78-2 |
|---|---|
| PubChem CID | 24770514 |
| 分子式 | C22H28O2S2 |
| IUPAC 名称 | 6,8-bis(benzylsulfanyl)octanoic acid |
| UNII（FDA） | E76113IR49 |
| Molecular Weight | 388.6 |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 13 |
| Exact Mass | 388.15307248 |
| Monoisotopic Mass | 388.15307248 |
| Topological Polar Surface Area | 87.9 |
| Heavy Atom Count | 26 |
95809-78-2; Devimistat; CPI613; Octanoic acid, 6,8-bis[(phenylMethyl)thio]-; E76113IR49; 6,8-Bis[(phenylmethyl)thio]octanoic acid; Octanoic acid, 6,8-bis((phenylmethyl)thio)-; DTXSID70914807; 6,8-Bis((phenylmethyl)thio)octanoic acid; 6,8-BIS-BENZYLSULFANYL-OCTANOIC ACID; devimistatum; RefChem:585850; DTXCID101343793; Alpha-Lipoic Acid Analogue CPI-613; CPI-613; 6,8-bis(benzylthio)octanoic acid
| 已通报的危害声明 | H400 (97.5%), H410 (97.5%) |
|---|
6,8-双(苄硫基)辛酸 · CAS 95809-78-2 · C22H28O2S2. UNII E76113IR49.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 6,8-双(苄硫基)辛酸