2-[[3-allyl-5-[(1-methyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5-phenylbenzoxazolium bromide (CAS 97552-56-2) — formula C34H30BrN3O2S, molecular weight 624.6; category organic chemicals.
| CAS Number | 97552-56-2 |
|---|---|
| Molecular Formula | C34H30BrN3O2S |
| Molecular Weight | 624.6 |
| Category | Organic Chemicals |
2-[[3-allyl-5-[(1-methyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5-phenylbenzoxazolium bromide is a carbon-based organic compound with CAS registry number 97552-56-2 and molecular formula C34H30BrN3O2S (molecular weight 624.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 97552-56-2
Its molecular formula C34H30BrN3O2S comprises 34 C, 30 H, 1 Br, 3 N, 2 O, 1 S atoms.
Also known as: 2-[[3-allyl-5-[(1-methyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5-phenylbenzoxazolium bromide · 2-[[3-烯丙基-5-[(1-甲基-1H-喹啉-4-亚基)亚乙基]-4-氧代噻唑烷-2-亚基]甲基]-3-乙基-5-苯基苯并恶唑溴化物
Category: organic chemicals
The CAS registry number of 2-[[3-allyl-5-[(1-methyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5-phenylbenzoxazolium bromide is 97552-56-2.
Molecular formula C34H30BrN3O2S, molecular weight 624.6.
It is also registered under: 2-[[3-allyl-5-[(1-methyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5-phenylbenzoxazolium bromide, 2-[[3-烯丙基-5-[(1-甲基-1H-喹啉-4-亚基)亚乙基]-4-氧代噻唑烷-2-亚基]甲基]-3-乙基-5-苯基苯并恶唑溴化物.
Category: Organic Chemicals.
Independent reference data for 2-[[3-allyl-5-[(1-methyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5-phenylbenzoxazolium bromide (CAS 97552-56-2), compiled from public chemistry databases.
| CAS 号 | 97552-56-2 |
|---|---|
| PubChem CID | 53423510 |
| 分子式 | C34H30BrN3O2S |
| IUPAC 名称 | 2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-5-[2-(1-methylquinolin-4-ylidene)ethylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one bromide |
| UNII（FDA） | NS00092990 |
| Molecular Weight | 624.6 |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 623.12421 |
| Monoisotopic Mass | 623.12421 |
| Topological Polar Surface Area | 65.9 |
| Heavy Atom Count | 41 |
2-[[3-烯丙基-5-[(1-甲基-1H-喹啉-4-亚基)亚乙基]-4-氧代噻唑烷-2-亚基]甲基]-3-乙基-5-苯基苯并恶唑溴化物 · CAS 97552-56-2 · C34H30BrN3O2S. UNII NS00092990.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[[3-烯丙基-5-[(1-甲基-1H-喹啉-4-亚基)亚乙基]-4-氧代噻唑烷-2-亚基]甲基]-3-乙基-5-苯基苯并恶唑溴化物