methyl 4-[(dimethylamino)thioxomethoxy]-o-acetylsalicylate (CAS 94108-12-0) — formula C13H15NO5S, molecular weight 297.33; category organic chemicals.
| CAS Number | 94108-12-0 |
|---|---|
| Molecular Formula | C13H15NO5S |
| Molecular Weight | 297.33 |
| LogP | 1.8 |
| Category | Organic Chemicals |
methyl 4-[(dimethylamino)thioxomethoxy]-o-acetylsalicylate is a carbon-based organic compound with CAS registry number 94108-12-0 and molecular formula C13H15NO5S (molecular weight 297.33), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94108-12-0
Its molecular formula C13H15NO5S comprises 13 C, 15 H, 1 N, 5 O, 1 S atoms.
Also known as: methyl 4-[(dimethylamino)thioxomethoxy]-o-acetylsalicylate · 4-[(二甲氨基)硫代甲氧基]-邻乙酰水杨酸甲酯
Category: organic chemicals
The CAS registry number of methyl 4-[(dimethylamino)thioxomethoxy]-o-acetylsalicylate is 94108-12-0.
Molecular formula C13H15NO5S, molecular weight 297.33.
It is also registered under: methyl 4-[(dimethylamino)thioxomethoxy]-o-acetylsalicylate, 4-[(二甲氨基)硫代甲氧基]-邻乙酰水杨酸甲酯.
Category: Organic Chemicals.
Independent reference data for methyl 4-[(dimethylamino)thioxomethoxy]-o-acetylsalicylate (CAS 94108-12-0), compiled from public chemistry databases.
| CAS 号 | 94108-12-0 |
|---|---|
| PubChem CID | 11971265 |
| 分子式 | C13H15NO5S |
| IUPAC 名称 | methyl 2-acetyloxy-4-(dimethylcarbamothioyloxy)benzoate |
| UNII（FDA） | BVT7729WL5 |
| Molecular Weight | 297.33 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 297.06709375 |
| Monoisotopic Mass | 297.06709375 |
| Topological Polar Surface Area | 97.2 |
| Heavy Atom Count | 20 |
94108-12-0; Methyl 4-((dimethylamino)thioxomethoxy)-o-acetylsalicylate; EINECS 302-350-2; BVT7729WL5; DTXSID40240564; GEHCHPPPQGTLNE-UHFFFAOYSA-N; methyl 2-(acetyloxy)-4-[(dimethylcarbamothioyl)oxy]benzoate; NS00040045; Methyl 2-(acetyloxy)-4-[(dimethylamino)thioxomethoxy]benzoate; Benzoic acid, 2-(acetyloxy)-4-[(dimethylamino)thioxomethoxy]-, methyl ester
4-[(二甲氨基)硫代甲氧基]-邻乙酰水杨酸甲酯 · CAS 94108-12-0 · C13H15NO5S. UNII BVT7729WL5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-[(二甲氨基)硫代甲氧基]-邻乙酰水杨酸甲酯