2-(phenylthio)nicotinic acid (CAS 35620-72-5) — formula C12H9NO2S, molecular weight 231.27; category organic chemicals.
| CAS Number | 35620-72-5 |
|---|---|
| Molecular Formula | C12H9NO2S |
| Molecular Weight | 231.27 |
| LogP | 2.8 |
| Category | Organic Chemicals |
2-(phenylthio)nicotinic acid is a carbon-based organic compound with CAS registry number 35620-72-5 and molecular formula C12H9NO2S (molecular weight 231.27), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 35620-72-5
Its molecular formula C12H9NO2S comprises 12 C, 9 H, 1 N, 2 O, 1 S atoms.
Also known as: 2-(phenylthio)nicotinic acid
Category: organic chemicals
The CAS registry number of 2-(phenylthio)nicotinic acid is 35620-72-5.
Molecular formula C12H9NO2S, molecular weight 231.27.
It is also registered under: 2-(phenylthio)nicotinic acid.
Category: Organic Chemicals.
Independent reference data for 2-(phenylthio)nicotinic acid (CAS 35620-72-5), compiled from public chemistry databases.
| CAS Registry Number | 35620-72-5 |
|---|---|
| PubChem CID | 725029 |
| Molecular formula | C12H9NO2S |
| IUPAC name | 2-phenylsulfanylpyridine-3-carboxylic acid |
| UNII (FDA) | HMS2547P07 |
| Molecular Weight | 231.27 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 231.03539970 |
| Monoisotopic Mass | 231.03539970 |
| Topological Polar Surface Area | 75.5 |
| Heavy Atom Count | 16 |
35620-72-5; RefChem:254600; 2-(phenylthio)-3-pyridinecarboxylic acid; 2-(Phenylthio)nicotinic acid; 2-phenylsulfanylpyridine-3-carboxylic acid; 2-(phenylsulfanyl)pyridine-3-carboxylic acid; 3-Pyridinecarboxylic acid, 2-(phenylthio)-; MFCD00052110; 2-phenylthiopyridine-3-carboxylic acid; 2-(phenylsulfanyl)nicotinic acid; 2-(phenylsulfanyl)pyridine-3-carboxylate; Maybridge1_001786; 2-(Phenylthio)pyridine-3-carboxylic acid; 3-Pyridinecarboxylicacid, 2-(phenylthio)-; Oprea1_517316; MLS000416837
| Reported hazard statements | H302 (50%), H315 (50%), H319 (50%), H335 (50%) |
|---|
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
2-(phenylthio)nicotinic acid · CAS 35620-72-5 · C12H9NO2S. UNII HMS2547P07.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.