2,5,6-trimethylbenzothiazole (CAS 5683-41-0) — formula C10H11NS, molecular weight 177.27; category organic chemicals.
2,5,6-trimethylbenzothiazole is a carbon-based organic compound with CAS registry number 5683-41-0 and molecular formula C10H11NS (molecular weight 177.27), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5683-41-0
Its molecular formula C10H11NS comprises 10 C, 11 H, 1 N, 1 S atoms.
Also known as: 2,5,6-trimethylbenzothiazole · 2,5,6-三甲基苯并噻唑
Category: organic chemicals
The CAS registry number of 2,5,6-trimethylbenzothiazole is 5683-41-0.
Molecular formula C10H11NS, molecular weight 177.27.
It is also registered under: 2,5,6-trimethylbenzothiazole, 2,5,6-三甲基苯并噻唑.
Category: Organic Chemicals.
Public-database records for 2,5,6-trimethylbenzothiazole (CAS 5683-41-0), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (50%), H315 (50%), H319 (50%) |
|---|
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
| CAS Registry Number | 5683-41-0 |
|---|---|
| PubChem CID | 79765 |
| 分子式 | C10H11NS |
| IUPAC 名称 | 2,5,6-trimethyl-1,3-benzothiazole |
| UNII（FDA） | HMS2671O04 |
2,5,6-Trimethylbenzothiazole; 5683-41-0; EINECS 227-148-0; DTXSID70205368; RefChem:444019; DTXCID70127859; 227-148-0; 2,5,6-Trimethylbenzo[d]thiazole; 2,5,6-trimethyl-1,3-benzothiazole; MFCD00128832; A831195; SCHEMBL33272; MLS000517195; CHEMBL1339665; SCHEMBL30422583; ZZLZXZFVVOXVRG-UHFFFAOYSA-
| 分子量 | 177.27 |
|---|---|
| XLogP3 | 3.5 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 0 |
| 精确质量 | 177.06122053 |
| 单同位素质量 | 177.06122053 |
| 拓扑极性表面积 | 41.1 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
2,5,6-trimethylbenzothiazole · CAS 5683-41-0 · C10H11NS. UNII HMS2671O04.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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