4-(methylthio)benzoic acid (CAS 13205-48-6) — formula C8H8O2S, molecular weight 168.21; category organic chemicals.
| CAS Number | 13205-48-6 |
|---|---|
| Molecular Formula | C8H8O2S |
| Molecular Weight | 168.21 |
| LogP | 2.74 |
| Category | Organic Chemicals |
4-(methylthio)benzoic acid is a carbon-based organic compound with CAS registry number 13205-48-6 and molecular formula C8H8O2S (molecular weight 168.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 13205-48-6
Its molecular formula C8H8O2S comprises 8 C, 8 H, 2 O, 1 S atoms.
Also known as: 4-(methylthio)benzoic acid · 4-(甲硫基)苯甲酸
Category: organic chemicals
The CAS registry number of 4-(methylthio)benzoic acid is 13205-48-6.
Molecular formula C8H8O2S, molecular weight 168.21.
It is also registered under: 4-(methylthio)benzoic acid, 4-(甲硫基)苯甲酸.
Category: Organic Chemicals.
Independent reference data for 4-(methylthio)benzoic acid (CAS 13205-48-6), compiled from public chemistry databases.
| CAS Registry Number | 13205-48-6 |
|---|---|
| PubChem CID | 83230 |
| Molecular formula | C8H8O2S |
| IUPAC name | 4-methylsulfanylbenzoic acid |
| UNII (FDA) | Q4SWG87DXN |
| Molecular Weight | 168.21 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 168.02450067 |
| Monoisotopic Mass | 168.02450067 |
| Topological Polar Surface Area | 62.6 |
| Heavy Atom Count | 11 |
| LogP | 2.74 |
|---|
4-(Methylthio)benzoic acid; 13205-48-6; Q4SWG87DXN; NSC-400301; DTXSID80157324; RefChem:97510; 4-MTB; DTXCID8079815; 236-171-5; Benzoic acid, 4-(methylthio)-; 4-methylsulfanylbenzoic acid; 4-(Methylsulfanyl)benzoic acid; p-(Methylthio)benzoic acid; MFCD00002555; 562836-64-0; Benzoic acid, p-(methylthio)-
| Reported hazard statements | H302 (16.7%), H315 (100%), H319 (100%), H335 (83.3%) |
|---|
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
4-(methylthio)benzoic acid · CAS 13205-48-6 · C8H8O2S. UNII Q4SWG87DXN. LogP: 2.74.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-(甲硫基)苯甲酸