4-[(pyridin-2-ylthio)methyl]benzoic acid (CAS 82145-80-0) — formula C13H11NO2S, molecular weight 245.30; category organic chemicals.
| CAS Number | 82145-80-0 |
|---|---|
| Molecular Formula | C13H11NO2S |
| Molecular Weight | 245.30 |
| LogP | 2.7 |
| Category | Organic Chemicals |
4-[(pyridin-2-ylthio)methyl]benzoic acid is a carbon-based organic compound with CAS registry number 82145-80-0 and molecular formula C13H11NO2S (molecular weight 245.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 82145-80-0
Its molecular formula C13H11NO2S comprises 13 C, 11 H, 1 N, 2 O, 1 S atoms.
Also known as: 4-[(pyridin-2-ylthio)methyl]benzoic acid · 4-(吡啶-2-基硫基甲基)-苯甲酸
Category: organic chemicals
The CAS registry number of 4-[(pyridin-2-ylthio)methyl]benzoic acid is 82145-80-0.
Molecular formula C13H11NO2S, molecular weight 245.30.
It is also registered under: 4-[(pyridin-2-ylthio)methyl]benzoic acid, 4-(吡啶-2-基硫基甲基)-苯甲酸.
Category: Organic Chemicals.
Independent reference data for 4-[(pyridin-2-ylthio)methyl]benzoic acid (CAS 82145-80-0), compiled from public chemistry databases.
| CAS 号 | 82145-80-0 |
|---|---|
| PubChem CID | 685236 |
| 分子式 | C13H11NO2S |
| IUPAC 名称 | 4-(pyridin-2-ylsulfanylmethyl)benzoic acid |
| UNII（FDA） | HMS1546B07 |
| Molecular Weight | 245.30 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 245.05104977 |
| Monoisotopic Mass | 245.05104977 |
| Topological Polar Surface Area | 75.5 |
| Heavy Atom Count | 17 |
82145-80-0; 4-[(PYRIDIN-2-YLTHIO)METHYL]BENZOIC ACID; 4-(pyridin-2-ylsulfanylmethyl)benzoic acid; 4-((Pyridin-2-ylthio)methyl)benzoic acid; 4-[(pyridin-2-ylsulfanyl)methyl]benzoic acid; MFCD01460018; 4-[(2-pyridinylthio)methyl]benzoic acid; benzoic acid, 4-[(2-pyridinylthio)methyl]-; 4-(2-pyridylthiomethyl)benzoic acid; Cambridge id 6967867; TimTec1_004253; MLS000715715; SCHEMBL315313; CHEMBL1420653; DTXSID60350654; HMS1546B07
4-(吡啶-2-基硫基甲基)-苯甲酸 · CAS 82145-80-0 · C13H11NO2S. UNII HMS1546B07.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-(吡啶-2-基硫基甲基)-苯甲酸