3-allyl-2-[[4,5-diphenyl-3-(4-sulphonatobutyl)thiazol-2(3H)-ylidene]methyl]-5-[(1-ethylquinolin-4(1H)-ylidene)ethylidene]-4-oxothiazolium (CAS 93857-85-3) — formula C39H37N3O4S3, molecular weight 707.9; category organic chemicals.
| CAS Number | 93857-85-3 |
|---|---|
| Molecular Formula | C39H37N3O4S3 |
| Molecular Weight | 707.9 |
| LogP | 7.9 |
| Category | Organic Chemicals |
3-allyl-2-[[4,5-diphenyl-3-(4-sulphonatobutyl)thiazol-2(3H)-ylidene]methyl]-5-[(1-ethylquinolin-4(1H)-ylidene)ethylidene]-4-oxothiazolium is a carbon-based organic compound with CAS registry number 93857-85-3 and molecular formula C39H37N3O4S3 (molecular weight 707.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 93857-85-3
Its molecular formula C39H37N3O4S3 comprises 39 C, 37 H, 3 N, 4 O, 3 S atoms.
Also known as: 3-allyl-2-[[4,5-diphenyl-3-(4-sulphonatobutyl)thiazol-2(3H)-ylidene]methyl]-5-[(1-ethylquinolin-4(1H)-ylidene)ethylidene]-4-oxothiazolium · 3-烯丙基-2-[[4,5-二苯基-3-(4-磺基丁基)噻唑-2(3H)-亚基]甲基]-5-[(1-乙基喹啉-4(1H)-亚基)亚乙基]-4-氧代噻唑
Category: organic chemicals
The CAS registry number of 3-allyl-2-[[4,5-diphenyl-3-(4-sulphonatobutyl)thiazol-2(3H)-ylidene]methyl]-5-[(1-ethylquinolin-4(1H)-ylidene)ethylidene]-4-oxothiazolium is 93857-85-3.
Molecular formula C39H37N3O4S3, molecular weight 707.9.
It is also registered under: 3-allyl-2-[[4,5-diphenyl-3-(4-sulphonatobutyl)thiazol-2(3H)-ylidene]methyl]-5-[(1-ethylquinolin-4(1H)-ylidene)ethylidene]-4-oxothiazolium, 3-烯丙基-2-[[4,5-二苯基-3-(4-磺基丁基)噻唑-2(3H)-亚基]甲基]-5-[(1-乙基喹啉-4(1H)-亚基)亚乙基]-4-氧代噻唑.
Category: Organic Chemicals.
Independent reference data for 3-allyl-2-[[4,5-diphenyl-3-(4-sulphonatobutyl)thiazol-2(3H)-ylidene]methyl]-5-[(1-ethylquinolin-4(1H)-ylidene)ethylidene]-4-oxothiazolium (CAS 93857-85-3), compiled from public chemistry databases.
| CAS 号 | 93857-85-3 |
|---|---|
| PubChem CID | 136055784 |
| 分子式 | C39H37N3O4S3 |
| IUPAC 名称 | 4-[2-[(Z)-[(5E)-5-[(2Z)-2-(1-ethylquinolin-4-ylidene)ethylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]methyl]-4,5-diphenyl-1,3-thiazol-3-ium-3-yl]butane-1-sulfonate |
| Molecular Weight | 707.9 |
|---|---|
| XLogP3 | 7.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 707.19462019 |
| Monoisotopic Mass | 707.19462019 |
| Topological Polar Surface Area | 147 |
| Heavy Atom Count | 49 |
3-烯丙基-2-[[4,5-二苯基-3-(4-磺基丁基)噻唑-2(3H)-亚基]甲基]-5-[(1-乙基喹啉-4(1H)-亚基)亚乙基]-4-氧代噻唑 · CAS 93857-85-3 · C39H37N3O4S3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-烯丙基-2-[[4,5-二苯基-3-(4-磺基丁基)噻唑-2(3H)-亚基]甲基]-5-[(1-乙基喹啉-4(1H)-亚基)亚乙基]-4-氧代噻唑