2-Thiobenzyl Nicotinic Acid (CAS 112811-90-2) — formula C13H11NO2S, molecular weight 245.30.
| CAS Number | 112811-90-2 |
|---|---|
| Molecular Formula | C13H11NO2S |
| Molecular Weight | 245.30 |
| LogP | 2.7 |
| Applications | General Manufacturing Information: 3-Pyridinecarboxylic acid, 2-[(phenylmethyl)thio]-: ACTIVE |
Documented applications: General Manufacturing Information: 3-Pyridinecarboxylic acid, 2-[(phenylmethyl)thio]-: ACTIVE.
2-Thiobenzyl Nicotinic Acid is a chemical compound with CAS registry number 112811-90-2 and molecular formula C13H11NO2S (molecular weight 245.30).
CAS number: 112811-90-2
Its molecular formula C13H11NO2S comprises 13 C, 11 H, 1 N, 2 O, 1 S atoms.
Also known as: 2-Thiobenzyl Nicotinic Acid · 2-硫代苄基烟酸
The CAS registry number of 2-Thiobenzyl Nicotinic Acid is 112811-90-2.
Molecular formula C13H11NO2S, molecular weight 245.30.
It is also registered under: 2-Thiobenzyl Nicotinic Acid, 2-硫代苄基烟酸.
Recorded applications: General Manufacturing Information: 3-Pyridinecarboxylic acid, 2-[(phenylmethyl)thio]-: ACTIVE.
Independent reference data for 2-Thiobenzyl Nicotinic Acid (CAS 112811-90-2), compiled from public chemistry databases.
| CAS Registry Number | 112811-90-2 |
|---|---|
| PubChem CID | 757779 |
| Molecular formula | C13H11NO2S |
| IUPAC name | 2-benzylsulfanylpyridine-3-carboxylic acid |
| UNII (FDA) | HMS2446N24 |
| 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 |
2-(benzylthio)nicotinic acid; DTXSID30888858; 3-Pyridinecarboxylic acid, 2-[(phenylmethyl)thio]-; 3-Pyridinecarboxylic acid, 2-((phenylmethyl)thio)-; 2-[benzylthio]nicotinic acid; RefChem:505189; DTXCID901028129; 601-206-9; 112811-90-2; 2-Thiobenzyl nicotinic acid; 2-Thiobenzylnicotinic Acid; 2-benzylsulfanylpyridine-3-carboxylic acid; 2-(benzylsulfanyl)pyridine-3-carboxylic acid; MFCD00661380; ChemDiv3_013058; MLS000046237
| Reported hazard statements | H319 (100%) |
|---|
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
2-Thiobenzyl Nicotinic Acid · CAS 112811-90-2 · C13H11NO2S. UNII HMS2446N24.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-硫代苄基烟酸