3-ethyl-2-[2-[[3-(2-hydroxyethyl)-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-6-methoxy-5-methylbenzothiazolium iodide (CAS 63815-94-1) — formula C27H33IN2O3S2, molecular weight 624.6; category organic chemicals.
| CAS Number | 63815-94-1 |
|---|---|
| Molecular Formula | C27H33IN2O3S2 |
| Molecular Weight | 624.6 |
| Category | Organic Chemicals |
3-ethyl-2-[2-[[3-(2-hydroxyethyl)-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-6-methoxy-5-methylbenzothiazolium iodide is a carbon-based organic compound with CAS registry number 63815-94-1 and molecular formula C27H33IN2O3S2 (molecular weight 624.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 63815-94-1
Its molecular formula C27H33IN2O3S2 comprises 27 C, 33 H, 1 I, 2 N, 3 O, 2 S atoms.
Also known as: 3-ethyl-2-[2-[[3-(2-hydroxyethyl)-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-6-methoxy-5-methylbenzothiazolium iodide · 3-乙基-2-[2-[[3-(2-羟乙基)-6-甲氧基-5-甲基-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-6-甲氧基-5-甲基苯并噻唑碘化物
Category: organic chemicals
The CAS registry number of 3-ethyl-2-[2-[[3-(2-hydroxyethyl)-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-6-methoxy-5-methylbenzothiazolium iodide is 63815-94-1.
Molecular formula C27H33IN2O3S2, molecular weight 624.6.
It is also registered under: 3-ethyl-2-[2-[[3-(2-hydroxyethyl)-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-6-methoxy-5-methylbenzothiazolium iodide, 3-乙基-2-[2-[[3-(2-羟乙基)-6-甲氧基-5-甲基-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-6-甲氧基-5-甲基苯并噻唑碘化物.
Category: Organic Chemicals.
Independent reference data for 3-ethyl-2-[2-[[3-(2-hydroxyethyl)-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-6-methoxy-5-methylbenzothiazolium iodide (CAS 63815-94-1), compiled from public chemistry databases.
| CAS 号 | 63815-94-1 |
|---|---|
| PubChem CID | 113898 |
| 分子式 | C27H33IN2O3S2 |
| IUPAC 名称 | 2-[2-[2-[(3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]ethanol iodide |
| UNII（FDA） | NS00054768 |
| Molecular Weight | 624.6 |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 624.09773 |
| Monoisotopic Mass | 624.09773 |
| Topological Polar Surface Area | 99.4 |
| Heavy Atom Count | 35 |
EINECS 264-482-6; 63815-94-1; DTXSID40886320; RefChem:118635; DTXCID501025654; FQITWMPLHQNZBR-UHFFFAOYSA-M; NS00054768
3-乙基-2-[2-[[3-(2-羟乙基)-6-甲氧基-5-甲基-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-6-甲氧基-5-甲基苯并噻唑碘化物 · CAS 63815-94-1 · C27H33IN2O3S2. UNII NS00054768.
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-羟乙基)-6-甲氧基-5-甲基-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-6-甲氧基-5-甲基苯并噻唑碘化物