2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium (CAS 7691-71-6) — formula C25H28N2O3S3, molecular weight 500.7; category organic chemicals.
| CAS Number | 7691-71-6 |
|---|---|
| Molecular Formula | C25H28N2O3S3 |
| Molecular Weight | 500.7 |
| LogP | 6.5 |
| Category | Organic Chemicals |
2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium is a carbon-based organic compound with CAS registry number 7691-71-6 and molecular formula C25H28N2O3S3 (molecular weight 500.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 7691-71-6
Its molecular formula C25H28N2O3S3 comprises 25 C, 28 H, 2 N, 3 O, 3 S atoms.
Also known as: 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium · 2-[3-(3-乙基-3H-苯并噻唑-2-亚基)-2-甲基丙-1-烯基]-5,6-二甲基-3-(3-磺基丙基)苯并噻唑鎓
Category: organic chemicals
The CAS registry number of 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium is 7691-71-6.
Molecular formula C25H28N2O3S3, molecular weight 500.7.
It is also registered under: 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium, 2-[3-(3-乙基-3H-苯并噻唑-2-亚基)-2-甲基丙-1-烯基]-5,6-二甲基-3-(3-磺基丙基)苯并噻唑鎓.
Category: Organic Chemicals.
Independent reference data for 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium (CAS 7691-71-6), compiled from public chemistry databases.
| CAS 号 | 7691-71-6 |
|---|---|
| PubChem CID | 111324 |
| 分子式 | C25H28N2O3S3 |
| IUPAC 名称 | 3-[2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate |
| UNII（FDA） | NS00045261 |
| Molecular Weight | 500.7 |
|---|---|
| XLogP3 | 6.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 500.12620628 |
| Monoisotopic Mass | 500.12620628 |
| Topological Polar Surface Area | 126 |
| Heavy Atom Count | 33 |
2-[3-(3-乙基-3H-苯并噻唑-2-亚基)-2-甲基丙-1-烯基]-5,6-二甲基-3-(3-磺基丙基)苯并噻唑鎓 · CAS 7691-71-6 · C25H28N2O3S3. UNII NS00045261.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[3-(3-乙基-3H-苯并噻唑-2-亚基)-2-甲基丙-1-烯基]-5,6-二甲基-3-(3-磺基丙基)苯并噻唑鎓