2-[2-[(5-bromo-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-chloro-1-(3-sulphonatopropyl)quinolinium (CAS 52450-03-0) — formula C26H26BrClN2O3S2, molecular weight 594.0; category organic chemicals.
| CAS Number | 52450-03-0 |
|---|---|
| Molecular Formula | C26H26BrClN2O3S2 |
| Molecular Weight | 594.0 |
| LogP | 7.3 |
| Category | Organic Chemicals |
2-[2-[(5-bromo-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-chloro-1-(3-sulphonatopropyl)quinolinium is a carbon-based organic compound with CAS registry number 52450-03-0 and molecular formula C26H26BrClN2O3S2 (molecular weight 594.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 52450-03-0
Its molecular formula C26H26BrClN2O3S2 comprises 26 C, 26 H, 1 Br, 1 Cl, 2 N, 3 O, 2 S atoms.
Also known as: 2-[2-[(5-bromo-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-chloro-1-(3-sulphonatopropyl)quinolinium · 2-[2-[(5-溴-3-乙基-3H-苯并噻唑-2-亚基)甲基]丁-1-烯基]-6-氯-1-(3-磺基丙基)喹啉鎓
Category: organic chemicals
The CAS registry number of 2-[2-[(5-bromo-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-chloro-1-(3-sulphonatopropyl)quinolinium is 52450-03-0.
Molecular formula C26H26BrClN2O3S2, molecular weight 594.0.
It is also registered under: 2-[2-[(5-bromo-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-chloro-1-(3-sulphonatopropyl)quinolinium, 2-[2-[(5-溴-3-乙基-3H-苯并噻唑-2-亚基)甲基]丁-1-烯基]-6-氯-1-(3-磺基丙基)喹啉鎓.
Category: Organic Chemicals.
Independent reference data for 2-[2-[(5-bromo-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-chloro-1-(3-sulphonatopropyl)quinolinium (CAS 52450-03-0), compiled from public chemistry databases.
| CAS 号 | 52450-03-0 |
|---|---|
| PubChem CID | 103638 |
| 分子式 | C26H26BrClN2O3S2 |
| IUPAC 名称 | 3-[2-[2-[(5-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-chloroquinolin-1-ium-1-yl]propane-1-sulfonate |
| UNII（FDA） | NS00057524 |
| Molecular Weight | 594.0 |
|---|---|
| XLogP3 | 7.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 592.02568 |
| Monoisotopic Mass | 592.02568 |
| Topological Polar Surface Area | 98 |
| Heavy Atom Count | 35 |
52450-03-0; EINECS 257-928-6; DTXSID30200450; GLLQOQWZQQOWTA-UHFFFAOYSA-N; NS00057524
2-[2-[(5-溴-3-乙基-3H-苯并噻唑-2-亚基)甲基]丁-1-烯基]-6-氯-1-(3-磺基丙基)喹啉鎓 · CAS 52450-03-0 · C26H26BrClN2O3S2. UNII NS00057524.
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-乙基-3H-苯并噻唑-2-亚基)甲基]丁-1-烯基]-6-氯-1-(3-磺基丙基)喹啉鎓