BENZOTHIAZOLE-6-CARBOXYLIC ACID (CAS 3622-35-3) — formula C8H5NO2S, molecular weight 179.20; category organic chemicals.
BENZOTHIAZOLE-6-CARBOXYLIC ACID is a carbon-based organic compound with CAS registry number 3622-35-3 and molecular formula C8H5NO2S (molecular weight 179.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3622-35-3
Its molecular formula C8H5NO2S comprises 8 C, 5 H, 1 N, 2 O, 1 S atoms.
Also known as: BENZOTHIAZOLE-6-CARBOXYLIC ACID · 6-Benzothiazolecarboxylic acid
Category: organic chemicals
The CAS registry number of BENZOTHIAZOLE-6-CARBOXYLIC ACID is 3622-35-3.
Molecular formula C8H5NO2S, molecular weight 179.20.
It is also registered under: BENZOTHIAZOLE-6-CARBOXYLIC ACID, 6-Benzothiazolecarboxylic acid.
Category: Organic Chemicals.
Public-database records for BENZOTHIAZOLE-6-CARBOXYLIC ACID (CAS 3622-35-3), reproduced here for independent cross-checking.
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (100%) |
|---|
| CAS 号 | 3622-35-3 |
|---|---|
| PubChem CID | 601670 |
| 分子式 | C8H5NO2S |
| IUPAC 名称 | 1,3-benzothiazole-6-carboxylic acid |
| UNII（FDA） | HMS1409G05 |
3622-35-3; Benzothiazole-6-carboxylic acid; 6-Benzothiazolecarboxylic acid; DTXSID80345067; RefChem:566294; DTXCID80296141; 629-517-5; 1,3-Benzothiazole-6-carboxylic acid; benzo[d]thiazole-6-carboxylic acid; MFCD00111651; MLS001003038; SMR000372672; F2167-0006; Enamine_005417; benzothiazole-6-carboxylic; SCHEMBL192332
| 分子量 | 179.20 |
|---|---|
| XLogP3 | 1.5 |
| 氢键供体数 | 1 |
| 氢键受体数 | 4 |
| 可旋转键数 | 1 |
| 精确质量 | 179.00409958 |
| 单同位素质量 | 179.00409958 |
| 拓扑极性表面积 | 78.4 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
1,3-苯并噻唑-6-羧酸 · CAS 3622-35-3 · C8H5NO2S. UNII HMS1409G05.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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