3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chlorobenzothiazolium iodide (CAS 94158-26-6) — formula C25H24ClIN2O4S2, molecular weight 643.0; category organic chemicals.
| CAS Number | 94158-26-6 |
|---|---|
| Molecular Formula | C25H24ClIN2O4S2 |
| Molecular Weight | 643.0 |
| Category | Organic Chemicals |
3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chlorobenzothiazolium iodide is a carbon-based organic compound with CAS registry number 94158-26-6 and molecular formula C25H24ClIN2O4S2 (molecular weight 643.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94158-26-6
Its molecular formula C25H24ClIN2O4S2 comprises 25 C, 24 H, 1 Cl, 1 I, 2 N, 4 O, 2 S atoms.
Also known as: 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chlorobenzothiazolium iodide · 3-(2-羧乙基)-2-[2-[[3-(2-羧乙基)-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-5-氯苯并噻唑碘化物
Category: organic chemicals
The CAS registry number of 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chlorobenzothiazolium iodide is 94158-26-6.
Molecular formula C25H24ClIN2O4S2, molecular weight 643.0.
It is also registered under: 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chlorobenzothiazolium iodide, 3-(2-羧乙基)-2-[2-[[3-(2-羧乙基)-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-5-氯苯并噻唑碘化物.
Category: Organic Chemicals.
Independent reference data for 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chlorobenzothiazolium iodide (CAS 94158-26-6), compiled from public chemistry databases.
| CAS 号 | 94158-26-6 |
|---|---|
| PubChem CID | 44148371 |
| 分子式 | C25H24ClIN2O4S2 |
| IUPAC 名称 | 3-[(2Z)-2-[(2E)-2-[[3-(2-carboxyethyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5-chloro-1,3-benzothiazol-3-yl]propanoic acid iodide |
| Molecular Weight | 643.0 |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 641.99107 |
| Monoisotopic Mass | 641.99107 |
| Topological Polar Surface Area | 135 |
| Heavy Atom Count | 35 |
3-(2-羧乙基)-2-[2-[[3-(2-羧乙基)-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-5-氯苯并噻唑碘化物 · CAS 94158-26-6 · C25H24ClIN2O4S2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-(2-羧乙基)-2-[2-[[3-(2-羧乙基)-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-5-氯苯并噻唑碘化物