2-[2-[[5-bromo-3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]buten-1-yl]-3-ethyl-5,6-dimethylbenzothiazolium iodide (CAS 70942-27-7) — formula C26H28BrIN2O2S2, molecular weight 671.5; category organic chemicals.
| CAS Number | 70942-27-7 |
|---|---|
| Molecular Formula | C26H28BrIN2O2S2 |
| Molecular Weight | 671.5 |
| Applications | General Manufacturing Information: Benzothiazolium, 2-[2-[[5-bromo-3-(2-carboxyethyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-ethyl-5, 6-dimethyl-, iodide (1:1): INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Benzothiazolium, 2-[2-[[5-bromo-3-(2-carboxyethyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-ethyl-5, 6-dimethyl-, iodide (1:1): INACTIVE.
2-[2-[[5-bromo-3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]buten-1-yl]-3-ethyl-5,6-dimethylbenzothiazolium iodide is a carbon-based organic compound with CAS registry number 70942-27-7 and molecular formula C26H28BrIN2O2S2 (molecular weight 671.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 70942-27-7
Its molecular formula C26H28BrIN2O2S2 comprises 26 C, 28 H, 1 Br, 1 I, 2 N, 2 O, 2 S atoms.
Also known as: 2-[2-[[5-bromo-3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]buten-1-yl]-3-ethyl-5,6-dimethylbenzothiazolium iodide · 2-[2-[[5-溴-3-(2-羧乙基)-3H-苯并噻唑-2-亚基]甲基]丁烯-1-基]-3-乙基-5,6-二甲基苯并噻唑碘化物
Category: organic chemicals
The CAS registry number of 2-[2-[[5-bromo-3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]buten-1-yl]-3-ethyl-5,6-dimethylbenzothiazolium iodide is 70942-27-7.
Molecular formula C26H28BrIN2O2S2, molecular weight 671.5.
It is also registered under: 2-[2-[[5-bromo-3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]buten-1-yl]-3-ethyl-5,6-dimethylbenzothiazolium iodide, 2-[2-[[5-溴-3-(2-羧乙基)-3H-苯并噻唑-2-亚基]甲基]丁烯-1-基]-3-乙基-5,6-二甲基苯并噻唑碘化物.
Recorded applications: General Manufacturing Information: Benzothiazolium, 2-[2-[[5-bromo-3-(2-carboxyethyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-ethyl-5, 6-dimethyl-, iodide (1:1): INACTIVE.
Category: Organic Chemicals.
Independent reference data for 2-[2-[[5-bromo-3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]buten-1-yl]-3-ethyl-5,6-dimethylbenzothiazolium iodide (CAS 70942-27-7), compiled from public chemistry databases.
| CAS 号 | 70942-27-7 |
|---|---|
| PubChem CID | 172678 |
| 分子式 | C26H28BrIN2O2S2 |
| IUPAC 名称 | 3-[5-bromo-2-[2-[(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid iodide |
| UNII（FDA） | NS00063178 |
| Molecular Weight | 671.5 |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 669.98203 |
| Monoisotopic Mass | 669.98203 |
| Topological Polar Surface Area | 98 |
| Heavy Atom Count | 34 |
70942-27-7; EINECS 275-034-4; DTXSID50887762; RefChem:118578; DTXCID801027047; SCHEMBL9797057; NS00063178
2-[2-[[5-溴-3-(2-羧乙基)-3H-苯并噻唑-2-亚基]甲基]丁烯-1-基]-3-乙基-5,6-二甲基苯并噻唑碘化物 · CAS 70942-27-7 · C26H28BrIN2O2S2. UNII NS00063178.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[2-[[5-溴-3-(2-羧乙基)-3H-苯并噻唑-2-亚基]甲基]丁烯-1-基]-3-乙基-5,6-二甲基苯并噻唑碘化物