2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)isobut-1-enyl]-3-(4-sulphonatobutyl)benzothiazolium (CAS 30457-66-0) — formula C24H26N2O3S3, molecular weight 486.7; category organic chemicals.
| CAS Number | 30457-66-0 |
|---|---|
| Molecular Formula | C24H26N2O3S3 |
| Molecular Weight | 486.7 |
| LogP | 6.1 |
| Category | Organic Chemicals |
2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)isobut-1-enyl]-3-(4-sulphonatobutyl)benzothiazolium is a carbon-based organic compound with CAS registry number 30457-66-0 and molecular formula C24H26N2O3S3 (molecular weight 486.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 30457-66-0
Its molecular formula C24H26N2O3S3 comprises 24 C, 26 H, 2 N, 3 O, 3 S atoms.
Also known as: 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)isobut-1-enyl]-3-(4-sulphonatobutyl)benzothiazolium · 2-[3-(3-乙基-3H-苯并噻唑-2-亚基)异丁-1-烯基]-3-(4-磺基丁基)苯并噻唑鎓
Category: organic chemicals
The CAS registry number of 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)isobut-1-enyl]-3-(4-sulphonatobutyl)benzothiazolium is 30457-66-0.
Molecular formula C24H26N2O3S3, molecular weight 486.7.
It is also registered under: 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)isobut-1-enyl]-3-(4-sulphonatobutyl)benzothiazolium, 2-[3-(3-乙基-3H-苯并噻唑-2-亚基)异丁-1-烯基]-3-(4-磺基丁基)苯并噻唑鎓.
Category: Organic Chemicals.
Independent reference data for 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)isobut-1-enyl]-3-(4-sulphonatobutyl)benzothiazolium (CAS 30457-66-0), compiled from public chemistry databases.
| CAS 号 | 30457-66-0 |
|---|---|
| PubChem CID | 121716 |
| 分子式 | C24H26N2O3S3 |
| IUPAC 名称 | 4-[2-[3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonate |
| UNII（FDA） | NS00127133 |
| Molecular Weight | 486.7 |
|---|---|
| XLogP3 | 6.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 486.11055622 |
| Monoisotopic Mass | 486.11055622 |
| Topological Polar Surface Area | 126 |
| Heavy Atom Count | 32 |
30457-66-0; SCHEMBL10596159; ZCJPIQRUDMDSMK-UHFFFAOYSA-N; DTXSID501108200; NS00127133
2-[3-(3-乙基-3H-苯并噻唑-2-亚基)异丁-1-烯基]-3-(4-磺基丁基)苯并噻唑鎓 · CAS 30457-66-0 · C24H26N2O3S3. UNII NS00127133.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.