Malonic acid, thio-, S-ester with N-(2-mercaptoethyl)octanamide (CAS 21044-08-6) — formula C13H23NO4S, molecular weight 289.39; category organic chemicals.
| CAS Number | 21044-08-6 |
|---|---|
| Molecular Formula | C13H23NO4S |
| Molecular Weight | 289.39 |
| LogP | 2.7 |
| Category | Organic Chemicals |
Malonic acid, thio-, S-ester with N-(2-mercaptoethyl)octanamide is a carbon-based organic compound with CAS registry number 21044-08-6 and molecular formula C13H23NO4S (molecular weight 289.39), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21044-08-6
Its molecular formula C13H23NO4S comprises 13 C, 23 H, 1 N, 4 O, 1 S atoms.
Also known as: Malonic acid, thio-, S-ester with N-(2-mercaptoethyl)octanamide · 丙二酸，硫代，S-酯与 N-(2-巯基乙基)辛酰胺
Category: organic chemicals
The CAS registry number of Malonic acid, thio-, S-ester with N-(2-mercaptoethyl)octanamide is 21044-08-6.
Molecular formula C13H23NO4S, molecular weight 289.39.
It is also registered under: Malonic acid, thio-, S-ester with N-(2-mercaptoethyl)octanamide, 丙二酸，硫代，S-酯与 N-(2-巯基乙基)辛酰胺.
Category: Organic Chemicals.
Independent reference data for Malonic acid, thio-, S-ester with N-(2-mercaptoethyl)octanamide (CAS 21044-08-6), compiled from public chemistry databases.
| CAS 号 | 21044-08-6 |
|---|---|
| PubChem CID | 537274 |
| 分子式 | C13H23NO4S |
| IUPAC 名称 | 3-[2-(octanoylamino)ethylsulfanyl]-3-oxopropanoic acid |
| Molecular Weight | 289.39 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 12 |
| Exact Mass | 289.13477939 |
| Monoisotopic Mass | 289.13477939 |
| Topological Polar Surface Area | 109 |
| Heavy Atom Count | 19 |
OYARRUNCADYJQA-UHFFFAOYSA-N; 21044-08-6; 3-([2-(Octanoylamino)ethyl]sulfanyl)-3-oxopropanoic acid #; Malonic acid, thio-, S-ester with N-(2-mercaptoethyl)octanamide
丙二酸，硫代，S-酯与 N-(2-巯基乙基)辛酰胺 · CAS 21044-08-6 · C13H23NO4S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.