ethyl 2-[[3-allyl-5-[(1-ethyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5,6-dimethylbenzoxazolium sulphate (CAS 93857-83-1) — formula C33H39N3O6S2, molecular weight 637.8; category organic chemicals.
| CAS Number | 93857-83-1 |
|---|---|
| Molecular Formula | C33H39N3O6S2 |
| Molecular Weight | 637.8 |
| Category | Organic Chemicals |
ethyl 2-[[3-allyl-5-[(1-ethyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5,6-dimethylbenzoxazolium sulphate is a carbon-based organic compound with CAS registry number 93857-83-1 and molecular formula C33H39N3O6S2 (molecular weight 637.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 93857-83-1
Its molecular formula C33H39N3O6S2 comprises 33 C, 39 H, 3 N, 6 O, 2 S atoms.
Also known as: ethyl 2-[[3-allyl-5-[(1-ethyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5,6-dimethylbenzoxazolium sulphate · 乙基2-[[3-烯丙基-5-[(1-乙基-1H-喹啉-4-亚基)亚乙基]-4-氧代噻唑烷-2-亚基]甲基]-3-乙基-5,6-二甲基苯并恶唑硫酸盐
Category: organic chemicals
The CAS registry number of ethyl 2-[[3-allyl-5-[(1-ethyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5,6-dimethylbenzoxazolium sulphate is 93857-83-1.
Molecular formula C33H39N3O6S2, molecular weight 637.8.
It is also registered under: ethyl 2-[[3-allyl-5-[(1-ethyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5,6-dimethylbenzoxazolium sulphate, 乙基2-[[3-烯丙基-5-[(1-乙基-1H-喹啉-4-亚基)亚乙基]-4-氧代噻唑烷-2-亚基]甲基]-3-乙基-5,6-二甲基苯并恶唑硫酸盐.
Category: Organic Chemicals.
Independent reference data for ethyl 2-[[3-allyl-5-[(1-ethyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5,6-dimethylbenzoxazolium sulphate (CAS 93857-83-1), compiled from public chemistry databases.
| CAS 号 | 93857-83-1 |
|---|---|
| PubChem CID | 44149211 |
| 分子式 | C33H39N3O6S2 |
| IUPAC 名称 | (2Z,5E)-2-[(3,3a-diethyl-5,6-dimethyl-4H-1,3-benzoxazol-3-ium-2-yl)methylidene]-5-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one;hydrogen sulfate |
| Molecular Weight | 637.8 |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 637.22802832 |
| Monoisotopic Mass | 637.22802832 |
| Topological Polar Surface Area | 147 |
| Heavy Atom Count | 44 |
乙基2-[[3-烯丙基-5-[(1-乙基-1H-喹啉-4-亚基)亚乙基]-4-氧代噻唑烷-2-亚基]甲基]-3-乙基-5,6-二甲基苯并恶唑硫酸盐 · CAS 93857-83-1 · C33H39N3O6S2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乙基2-[[3-烯丙基-5-[(1-乙基-1H-喹啉-4-亚基)亚乙基]-4-氧代噻唑烷-2-亚基]甲基]-3-乙基-5,6-二甲基苯并恶唑硫酸盐