2-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)aMino]ethanethiol (CAS 50540-16-4) — formula C8H8N4O3S, molecular weight 240.24; category organic chemicals.
2-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)aMino]ethanethiol is a carbon-based organic compound with CAS registry number 50540-16-4 and molecular formula C8H8N4O3S (molecular weight 240.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 50540-16-4
Its molecular formula C8H8N4O3S comprises 8 C, 8 H, 4 N, 3 O, 1 S atoms.
Also known as: 2-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)aMino]ethanethiol
Category: organic chemicals
The CAS registry number of 2-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)aMino]ethanethiol is 50540-16-4.
Molecular formula C8H8N4O3S, molecular weight 240.24.
It is also registered under: 2-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)aMino]ethanethiol.
Category: Organic Chemicals.
Public-database records for 2-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)aMino]ethanethiol (CAS 50540-16-4), reproduced here for independent cross-checking.
| CAS Registry Number | 50540-16-4 |
|---|---|
| PubChem CID | 124519638 |
| 分子式 | C8H8N4O3S |
| IUPAC 名称 | 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethanethiol |
50540-16-4; 2-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]ethanethiol; 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]ethanethiol; 2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)ethane-1-thiol; starbld0003498; SCHEMBL12818156; SCHEMBL21239902; DB-251039; 7-(2'-Mercaptoethylamino)-4-nitrobenzo-2-oxa-1,3-diazole;
| 分子量 | 240.24 |
|---|---|
| XLogP3 | 1.3 |
| 氢键供体数 | 2 |
| 氢键受体数 | 7 |
| 可旋转键数 | 3 |
| 精确质量 | 240.03171130 |
| 单同位素质量 | 240.03171130 |
| 拓扑极性表面积 | 97.8 |
| 重原子数 | 16 |
| 形式电荷 | 0 |
2-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)aMino]ethanethiol · CAS 50540-16-4 · C8H8N4O3S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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