2-Acetamido-5-nitrothiazole (CAS 140-40-9) — formula C5H5N3O3S, molecular weight 187.18; category organic chemicals.
2-Acetamido-5-nitrothiazole is a carbon-based organic compound with CAS registry number 140-40-9 and molecular formula C5H5N3O3S (molecular weight 187.18), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 140-40-9
Its molecular formula C5H5N3O3S comprises 5 C, 5 H, 3 N, 3 O, 1 S atoms.
Also known as: 2-Acetamido-5-nitrothiazole · aminitrozole
Category: organic chemicals
The CAS registry number of 2-Acetamido-5-nitrothiazole is 140-40-9.
Molecular formula C5H5N3O3S, molecular weight 187.18.
It is also registered under: 2-Acetamido-5-nitrothiazole, aminitrozole.
Category: Organic Chemicals.
Public-database records for 2-Acetamido-5-nitrothiazole (CAS 140-40-9), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
| LogP | 1.3 |
|---|---|
| Ionization Efficiency | 0.82 |
| Ionization Efficiency | 2.7 |
| Ionization Efficiency | MeCN (80%) |
| Ionization Efficiency | DOI:10.1038/s41598-020-62573-z |
| CAS Registry Number | 140-40-9 |
|---|---|
| PubChem CID | 8798 |
| 分子式 | C5H5N3O3S |
| IUPAC 名称 | N-(5-nitro-1,3-thiazol-2-yl)acetamide |
| UNII（FDA） | 9CBM60191Z |
Nithiamide; 140-40-9; 2-Acetamido-5-nitrothiazole; Aminitrozole; Acinitrazole; Aminitrozol; Nitazole; Acetamide, N-(5-nitro-2-thiazolyl)-; N-(5-Nitro-2-thiazolyl)acetamide; Aminitrozolum; CL 5,279; DTXSID6046391; 2-(Acetylamino)-5-nitrothiazole; NSC-31539; NSC-45914; 9CBM60191Z
| 分子量 | 187.18 |
|---|---|
| XLogP3 | 1.3 |
| 氢键供体数 | 1 |
| 氢键受体数 | 5 |
| 可旋转键数 | 1 |
| 精确质量 | 187.00516220 |
| 单同位素质量 | 187.00516220 |
| 拓扑极性表面积 | 116 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
2-Acetamido-5-nitrothiazole · CAS 140-40-9 · C5H5N3O3S. UNII 9CBM60191Z. LogP: 1.3; Ionization Efficiency: 0.82; Ionization Efficiency: 2.7.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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