3-ethyl-2-[2-[[3-(2-hydroxy-3-sulphonatopropyl)-5-methyl-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5,6-dimethylbenzothiazolium (CAS 94158-28-8) — formula C27H32N2O4S3, molecular weight 544.8; category organic chemicals.
| CAS Number | 94158-28-8 |
|---|---|
| Molecular Formula | C27H32N2O4S3 |
| Molecular Weight | 544.8 |
| LogP | 6.3 |
| Category | Organic Chemicals |
3-ethyl-2-[2-[[3-(2-hydroxy-3-sulphonatopropyl)-5-methyl-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5,6-dimethylbenzothiazolium is a carbon-based organic compound with CAS registry number 94158-28-8 and molecular formula C27H32N2O4S3 (molecular weight 544.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94158-28-8
Its molecular formula C27H32N2O4S3 comprises 27 C, 32 H, 2 N, 4 O, 3 S atoms.
Also known as: 3-ethyl-2-[2-[[3-(2-hydroxy-3-sulphonatopropyl)-5-methyl-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5,6-dimethylbenzothiazolium · 3-乙基-2-[2-[[3-(2-羟基-3-磺酸基丙基)-5-甲基-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-5,6-二甲基苯并噻唑鎓
Category: organic chemicals
The CAS registry number of 3-ethyl-2-[2-[[3-(2-hydroxy-3-sulphonatopropyl)-5-methyl-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5,6-dimethylbenzothiazolium is 94158-28-8.
Molecular formula C27H32N2O4S3, molecular weight 544.8.
It is also registered under: 3-ethyl-2-[2-[[3-(2-hydroxy-3-sulphonatopropyl)-5-methyl-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5,6-dimethylbenzothiazolium, 3-乙基-2-[2-[[3-(2-羟基-3-磺酸基丙基)-5-甲基-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-5,6-二甲基苯并噻唑鎓.
Category: Organic Chemicals.
Independent reference data for 3-ethyl-2-[2-[[3-(2-hydroxy-3-sulphonatopropyl)-5-methyl-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5,6-dimethylbenzothiazolium (CAS 94158-28-8), compiled from public chemistry databases.
| CAS 号 | 94158-28-8 |
|---|---|
| PubChem CID | 44145905 |
| 分子式 | C27H32N2O4S3 |
| IUPAC 名称 | 3-[2-[(E)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methyl-1,3-benzothiazol-3-ium-3-yl]-2-hydroxypropane-1-sulfonate |
| Molecular Weight | 544.8 |
|---|---|
| XLogP3 | 6.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 544.15242103 |
| Monoisotopic Mass | 544.15242103 |
| Topological Polar Surface Area | 146 |
| Heavy Atom Count | 36 |
3-乙基-2-[2-[[3-(2-羟基-3-磺酸基丙基)-5-甲基-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-5,6-二甲基苯并噻唑鎓 · CAS 94158-28-8 · C27H32N2O4S3.
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-(2-羟基-3-磺酸基丙基)-5-甲基-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-5,6-二甲基苯并噻唑鎓