5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic a cid (CAS 84968-81-0) — formula C13H10N4O5S, molecular weight 334.31; category organic chemicals.
| CAS Number | 84968-81-0 |
|---|---|
| Molecular Formula | C13H10N4O5S |
| Molecular Weight | 334.31 |
| LogP | 1.9 |
| Category | Organic Chemicals |
5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic a cid is a carbon-based organic compound with CAS registry number 84968-81-0 and molecular formula C13H10N4O5S (molecular weight 334.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 84968-81-0
Its molecular formula C13H10N4O5S comprises 13 C, 10 H, 4 N, 5 O, 1 S atoms.
Also known as: 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic a cid · 5-羟基-3-甲基-1-(6-硝基-2-苯并噻唑基)-1H-吡唑-4-乙酸
Category: organic chemicals
The CAS registry number of 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic a cid is 84968-81-0.
Molecular formula C13H10N4O5S, molecular weight 334.31.
It is also registered under: 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic a cid, 5-羟基-3-甲基-1-(6-硝基-2-苯并噻唑基)-1H-吡唑-4-乙酸.
Category: Organic Chemicals.
Independent reference data for 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic a cid (CAS 84968-81-0), compiled from public chemistry databases.
| CAS 号 | 84968-81-0 |
|---|---|
| PubChem CID | 3069642 |
| 分子式 | C13H10N4O5S |
| IUPAC 名称 | 2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]acetic acid |
| Molecular Weight | 334.31 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 334.03719061 |
| Monoisotopic Mass | 334.03719061 |
| Topological Polar Surface Area | 157 |
| Heavy Atom Count | 23 |
84968-81-0; DTXSID001005302; (5-Methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid; [5-Methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]acetic acid; RefChem:1050584; DTXCID501432188; 5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic acid; 1H-Pyrazole-4-acetic acid, 5-hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-
5-羟基-3-甲基-1-(6-硝基-2-苯并噻唑基)-1H-吡唑-4-乙酸 · CAS 84968-81-0 · C13H10N4O5S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.