3-ethyl-2-[2-[[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-phenylbenzoxazolium (CAS 5529-89-5) — formula C30H30N2O4S2, molecular weight 546.7; category organic chemicals.
| CAS Number | 5529-89-5 |
|---|---|
| Molecular Formula | C30H30N2O4S2 |
| Molecular Weight | 546.7 |
| LogP | 7.3 |
| Category | Organic Chemicals |
3-ethyl-2-[2-[[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-phenylbenzoxazolium is a carbon-based organic compound with CAS registry number 5529-89-5 and molecular formula C30H30N2O4S2 (molecular weight 546.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5529-89-5
Its molecular formula C30H30N2O4S2 comprises 30 C, 30 H, 2 N, 4 O, 2 S atoms.
Also known as: 3-ethyl-2-[2-[[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-phenylbenzoxazolium · 3-乙基-2-[2-[[3-(3-磺酸基丙基)-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-5-苯基苯并恶唑鎓
Category: organic chemicals
The CAS registry number of 3-ethyl-2-[2-[[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-phenylbenzoxazolium is 5529-89-5.
Molecular formula C30H30N2O4S2, molecular weight 546.7.
It is also registered under: 3-ethyl-2-[2-[[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-phenylbenzoxazolium, 3-乙基-2-[2-[[3-(3-磺酸基丙基)-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-5-苯基苯并恶唑鎓.
Category: Organic Chemicals.
Independent reference data for 3-ethyl-2-[2-[[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-phenylbenzoxazolium (CAS 5529-89-5), compiled from public chemistry databases.
| CAS 号 | 5529-89-5 |
|---|---|
| PubChem CID | 3034873 |
| 分子式 | C30H30N2O4S2 |
| IUPAC 名称 | 3-[2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate |
| UNII（FDA） | NS00043723 |
| Molecular Weight | 546.7 |
|---|---|
| XLogP3 | 7.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 546.16469979 |
| Monoisotopic Mass | 546.16469979 |
| Topological Polar Surface Area | 110 |
| Heavy Atom Count | 38 |
5529-89-5; 3-Ethyl-2-(2-((3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-5-phenylbenzoxazolium; DTXSID20203793; AXRIZLCXXQKAOQ-UHFFFAOYSA-N; NS00043723
3-乙基-2-[2-[[3-(3-磺酸基丙基)-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-5-苯基苯并恶唑鎓 · CAS 5529-89-5 · C30H30N2O4S2. UNII NS00043723.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-乙基-2-[2-[[3-(3-磺酸基丙基)-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-5-苯基苯并恶唑鎓