2-[5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid (CAS 90812-42-3) — formula C16H17NO5S3, molecular weight 399.5; category organic chemicals.
| CAS Number | 90812-42-3 |
|---|---|
| Molecular Formula | C16H17NO5S3 |
| Molecular Weight | 399.5 |
| LogP | 3.2 |
| Category | Organic Chemicals |
2-[5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid is a carbon-based organic compound with CAS registry number 90812-42-3 and molecular formula C16H17NO5S3 (molecular weight 399.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 90812-42-3
Its molecular formula C16H17NO5S3 comprises 16 C, 17 H, 1 N, 5 O, 3 S atoms.
Also known as: 2-[5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid · 2-[5-(4-羟基-3-甲氧基亚苄基)-4-氧代-2-硫代-1,3-噻唑烷-3-基]-4-(甲硫基)丁酸
Category: organic chemicals
The CAS registry number of 2-[5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid is 90812-42-3.
Molecular formula C16H17NO5S3, molecular weight 399.5.
It is also registered under: 2-[5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid, 2-[5-(4-羟基-3-甲氧基亚苄基)-4-氧代-2-硫代-1,3-噻唑烷-3-基]-4-(甲硫基)丁酸.
Category: Organic Chemicals.
Independent reference data for 2-[5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid (CAS 90812-42-3), compiled from public chemistry databases.
| CAS 号 | 90812-42-3 |
|---|---|
| PubChem CID | 6996976 |
| 分子式 | C16H17NO5S3 |
| IUPAC 名称 | 2-[(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoic acid |
| UNII（FDA） | ST50076111 |
| Molecular Weight | 399.5 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 399.02688616 |
| Monoisotopic Mass | 399.02688616 |
| Topological Polar Surface Area | 170 |
| Heavy Atom Count | 25 |
90812-42-3; (E)-2-(5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-(methylthio)butanoic acid; AKOS002183496; AKOS016298003; ST50076111; SR-01000013278; SR-01000013278-1; F1567-0155; 2-{5-[(4-hydroxy-3-methoxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-y l)}-4-methylthiobutanoic acid
2-[5-(4-羟基-3-甲氧基亚苄基)-4-氧代-2-硫代-1,3-噻唑烷-3-基]-4-(甲硫基)丁酸 · CAS 90812-42-3 · C16H17NO5S3. UNII ST50076111.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.