3-allyl-2-[[4,5-diphenyl-3-(4-sulphonatobutyl)thiazol-2(3H)-ylidene]methyl]-5-[(3-ethylbenzothiazol-2(3H)-ylidene)ethylidene]-4-oxothiazolium (CAS 93857-84-2) — formula C37H35N3O4S4, molecular weight 714.0; category organic chemicals.
| CAS Number | 93857-84-2 |
|---|---|
| Molecular Formula | C37H35N3O4S4 |
| Molecular Weight | 714.0 |
| LogP | 8.2 |
| Category | Organic Chemicals |
3-allyl-2-[[4,5-diphenyl-3-(4-sulphonatobutyl)thiazol-2(3H)-ylidene]methyl]-5-[(3-ethylbenzothiazol-2(3H)-ylidene)ethylidene]-4-oxothiazolium is a carbon-based organic compound with CAS registry number 93857-84-2 and molecular formula C37H35N3O4S4 (molecular weight 714.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 93857-84-2
Its molecular formula C37H35N3O4S4 comprises 37 C, 35 H, 3 N, 4 O, 4 S atoms.
Also known as: 3-allyl-2-[[4,5-diphenyl-3-(4-sulphonatobutyl)thiazol-2(3H)-ylidene]methyl]-5-[(3-ethylbenzothiazol-2(3H)-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-[(3-乙基苯并噻唑-2(3H)-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-[(3-ethylbenzothiazol-2(3H)-ylidene)ethylidene]-4-oxothiazolium is 93857-84-2.
Molecular formula C37H35N3O4S4, molecular weight 714.0.
It is also registered under: 3-allyl-2-[[4,5-diphenyl-3-(4-sulphonatobutyl)thiazol-2(3H)-ylidene]methyl]-5-[(3-ethylbenzothiazol-2(3H)-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-[(3-乙基苯并噻唑-2(3H)-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-[(3-ethylbenzothiazol-2(3H)-ylidene)ethylidene]-4-oxothiazolium (CAS 93857-84-2), compiled from public chemistry databases.
| CAS 号 | 93857-84-2 |
|---|---|
| PubChem CID | 53425469 |
| 分子式 | C37H35N3O4S4 |
| IUPAC 名称 | 4-[2-[[5-[2-(3-ethyl-1,3-benzothiazol-2-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 |
| UNII（FDA） | NS00063767 |
| Molecular Weight | 714.0 |
|---|---|
| XLogP3 | 8.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Exact Mass | 713.15104130 |
| Monoisotopic Mass | 713.15104130 |
| Topological Polar Surface Area | 172 |
| Heavy Atom Count | 48 |
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-[(3-乙基苯并噻唑-2(3H)-亚基)亚乙基]-4-氧代噻唑 · CAS 93857-84-2 · C37H35N3O4S4. UNII NS00063767.
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-[(3-乙基苯并噻唑-2(3H)-亚基)亚乙基]-4-氧代噻唑