1-(2-Benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid (CAS 84968-78-5) — formula C13H11N3O3S, molecular weight 289.31; category organic chemicals.
| CAS Number | 84968-78-5 |
|---|---|
| Molecular Formula | C13H11N3O3S |
| Molecular Weight | 289.31 |
| LogP | 2.1 |
| Category | Organic Chemicals |
1-(2-Benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid is a carbon-based organic compound with CAS registry number 84968-78-5 and molecular formula C13H11N3O3S (molecular weight 289.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 84968-78-5
Its molecular formula C13H11N3O3S comprises 13 C, 11 H, 3 N, 3 O, 1 S atoms.
Also known as: 1-(2-Benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid · 1-(2-苯并噻唑基)-5-羟基-3-甲基-1H-吡唑-4-乙酸
Category: organic chemicals
The CAS registry number of 1-(2-Benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid is 84968-78-5.
Molecular formula C13H11N3O3S, molecular weight 289.31.
It is also registered under: 1-(2-Benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid, 1-(2-苯并噻唑基)-5-羟基-3-甲基-1H-吡唑-4-乙酸.
Category: Organic Chemicals.
Independent reference data for 1-(2-Benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid (CAS 84968-78-5), compiled from public chemistry databases.
| CAS 号 | 84968-78-5 |
|---|---|
| PubChem CID | 3069639 |
| 分子式 | C13H11N3O3S |
| IUPAC 名称 | 2-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid |
| Molecular Weight | 289.31 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 289.05211239 |
| Monoisotopic Mass | 289.05211239 |
| Topological Polar Surface Area | 111 |
| Heavy Atom Count | 20 |
84968-78-5; DTXSID801005299; (2-(1,3-Benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid; [2-(1,3-Benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]acetic acid; RefChem:1049633; DTXCID401432185; 2-(1-(Benzo[d]thiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)acetic acid; 1-(2-Benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid; 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-5-hydroxy-3-methyl-; 1-(2-benzo[d]thiazolyl)-5-hydroxy-3-methyl-1h-pyrazole-4-acetic acid
1-(2-苯并噻唑基)-5-羟基-3-甲基-1H-吡唑-4-乙酸 · CAS 84968-78-5 · C13H11N3O3S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.