1-benzothiophene-3-carboxylic acid (CAS 5381-25-9) — formula C9H6O2S, molecular weight 178.21; category organic chemicals.
| CAS Number | 5381-25-9 |
|---|---|
| Molecular Formula | C9H6O2S |
| Molecular Weight | 178.21 |
| LogP | 2.6 |
| Category | Organic Chemicals |
1-benzothiophene-3-carboxylic acid is a carbon-based organic compound with CAS registry number 5381-25-9 and molecular formula C9H6O2S (molecular weight 178.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5381-25-9
Its molecular formula C9H6O2S comprises 9 C, 6 H, 2 O, 1 S atoms.
Also known as: 1-benzothiophene-3-carboxylic acid · 1-苯并噻吩-3-羧酸
Category: organic chemicals
The CAS registry number of 1-benzothiophene-3-carboxylic acid is 5381-25-9.
Molecular formula C9H6O2S, molecular weight 178.21.
It is also registered under: 1-benzothiophene-3-carboxylic acid, 1-苯并噻吩-3-羧酸.
Category: Organic Chemicals.
Independent reference data for 1-benzothiophene-3-carboxylic acid (CAS 5381-25-9), compiled from public chemistry databases.
| CAS Registry Number | 5381-25-9 |
|---|---|
| PubChem CID | 601280 |
| Molecular formula | C9H6O2S |
| IUPAC name | 1-benzothiophene-3-carboxylic acid |
| UNII (FDA) | Z199507040 |
| Molecular Weight | 178.21 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 178.00885060 |
| Monoisotopic Mass | 178.00885060 |
| Topological Polar Surface Area | 65.5 |
| Heavy Atom Count | 12 |
Benzo[b]thiophene-3-carboxylic acid; Benzo(b)thiophene-3-carboxylic acid; RefChem:565181; 676-510-8; 1-Benzothiophene-3-carboxylic acid; 5381-25-9; benzothiophene-3-carboxylic acid; MFCD01846406; SCHEMBL72502; STK398230; 1-Benzothiophene-3-carboxylic acid #; AKOS000308267; AS-5647; SDCCGMLS-0065964.P001; AC-24589; SY021563
| Reported hazard statements | H315 (100%), H319 (100%), H335 (77.8%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
1-benzothiophene-3-carboxylic acid · CAS 5381-25-9 · C9H6O2S. UNII Z199507040.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1-苯并噻吩-3-羧酸