2-[2-[[5,6-dimethoxy-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-3-ethyl-5,6-dimethylbenzothiazolium (CAS 97889-92-4) — formula C29H36N2O5S3, molecular weight 588.8; category organic chemicals.
| CAS Number | 97889-92-4 |
|---|---|
| Molecular Formula | C29H36N2O5S3 |
| Molecular Weight | 588.8 |
| LogP | 7.2 |
| Category | Organic Chemicals |
2-[2-[[5,6-dimethoxy-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-3-ethyl-5,6-dimethylbenzothiazolium is a carbon-based organic compound with CAS registry number 97889-92-4 and molecular formula C29H36N2O5S3 (molecular weight 588.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 97889-92-4
Its molecular formula C29H36N2O5S3 comprises 29 C, 36 H, 2 N, 5 O, 3 S atoms.
Also known as: 2-[2-[[5,6-dimethoxy-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-3-ethyl-5,6-dimethylbenzothiazolium · 2-[2-[[5,6-二甲氧基-3-(4-磺基丁基)-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-3-乙基-5,6-二甲基苯并噻唑鎓
Category: organic chemicals
The CAS registry number of 2-[2-[[5,6-dimethoxy-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-3-ethyl-5,6-dimethylbenzothiazolium is 97889-92-4.
Molecular formula C29H36N2O5S3, molecular weight 588.8.
It is also registered under: 2-[2-[[5,6-dimethoxy-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-3-ethyl-5,6-dimethylbenzothiazolium, 2-[2-[[5,6-二甲氧基-3-(4-磺基丁基)-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-3-乙基-5,6-二甲基苯并噻唑鎓.
Category: Organic Chemicals.
Independent reference data for 2-[2-[[5,6-dimethoxy-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-3-ethyl-5,6-dimethylbenzothiazolium (CAS 97889-92-4), compiled from public chemistry databases.
| CAS 号 | 97889-92-4 |
|---|---|
| PubChem CID | 3034952 |
| 分子式 | C29H36N2O5S3 |
| IUPAC 名称 | 4-[2-[2-[(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonate |
| UNII（FDA） | NS00065886 |
| Molecular Weight | 588.8 |
|---|---|
| XLogP3 | 7.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 10 |
| Exact Mass | 588.17863577 |
| Monoisotopic Mass | 588.17863577 |
| Topological Polar Surface Area | 145 |
| Heavy Atom Count | 39 |
97889-92-4; DTXSID50243329; OYZPNSGLVBKWLO-UHFFFAOYSA-N; NS00065886
2-[2-[[5,6-二甲氧基-3-(4-磺基丁基)-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-3-乙基-5,6-二甲基苯并噻唑鎓 · CAS 97889-92-4 · C29H36N2O5S3. UNII NS00065886.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[2-[[5,6-二甲氧基-3-(4-磺基丁基)-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-3-乙基-5,6-二甲基苯并噻唑鎓