3-(2-carboxyethyl)-2-[2-[(3-ethyl-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methylbenzothiazolium iodide (CAS 63815-95-2) — formula C28H33IN2O4S2, molecular weight 652.6; category organic chemicals.
| CAS Number | 63815-95-2 |
|---|---|
| Molecular Formula | C28H33IN2O4S2 |
| Molecular Weight | 652.6 |
| Applications | General Manufacturing Information: Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[(3-ethyl-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-6-methoxy-5-methyl-, iodide (1:1): INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[(3-ethyl-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-6-methoxy-5-methyl-, iodide (1:1): INACTIVE.
3-(2-carboxyethyl)-2-[2-[(3-ethyl-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 63815-95-2 and molecular formula C28H33IN2O4S2 (molecular weight 652.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 63815-95-2
Its molecular formula C28H33IN2O4S2 comprises 28 C, 33 H, 1 I, 2 N, 4 O, 2 S atoms.
Also known as: 3-(2-carboxyethyl)-2-[2-[(3-ethyl-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methylbenzothiazolium iodide · 3-(2-羧乙基)-2-[2-[(3-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-(2-carboxyethyl)-2-[2-[(3-ethyl-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methylbenzothiazolium iodide is 63815-95-2.
Molecular formula C28H33IN2O4S2, molecular weight 652.6.
It is also registered under: 3-(2-carboxyethyl)-2-[2-[(3-ethyl-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methylbenzothiazolium iodide, 3-(2-羧乙基)-2-[2-[(3-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.
Recorded applications: General Manufacturing Information: Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[(3-ethyl-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-6-methoxy-5-methyl-, iodide (1:1): INACTIVE.
Category: Organic Chemicals.
Independent reference data for 3-(2-carboxyethyl)-2-[2-[(3-ethyl-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methylbenzothiazolium iodide (CAS 63815-95-2), compiled from public chemistry databases.
| CAS 号 | 63815-95-2 |
|---|---|
| PubChem CID | 113900 |
| 分子式 | C28H33IN2O4S2 |
| IUPAC 名称 | 3-[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]propanoic acid iodide |
| UNII（FDA） | NS00054769 |
| Molecular Weight | 652.6 |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 652.09265 |
| Monoisotopic Mass | 652.09265 |
| Topological Polar Surface Area | 116 |
| Heavy Atom Count | 37 |
63815-95-2; EINECS 264-483-1; DTXSID00886321; RefChem:118613; DTXCID201025655; DB-217588; NS00054769
3-(2-羧乙基)-2-[2-[(3-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 63815-95-2 · C28H33IN2O4S2. UNII NS00054769.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-(2-羧乙基)-2-[2-[(3-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