3-(Methylthio)benzoic acid (CAS 825-99-0) — formula C8H8O2S, molecular weight 168.21; category organic chemicals.
3-(Methylthio)benzoic acid (CAS 825-99-0) is a chemical raw material in the organic chemicals category. Its molecular formula C8H8O2S comprises 8 C, 8 H, 2 O, 1 S atoms. Its molecular weight is about 168.21. Reported physicochemical data: LogP about 2.7. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 825-99-0 |
|---|---|
| Molecular Formula | C8H8O2S |
| Molecular Weight | 168.21 |
| LogP | 2.7 |
| Category | Organic Chemicals |
3-(Methylthio)benzoic acid is a carbon-based organic compound with CAS registry number 825-99-0 and molecular formula C8H8O2S (molecular weight 168.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 825-99-0
Its molecular formula C8H8O2S comprises 8 C, 8 H, 2 O, 1 S atoms.
Also known as: 3-(Methylthio)benzoic acid · 3-(甲硫基)苯甲酸
Category: organic chemicals
The CAS registry number of 3-(Methylthio)benzoic acid is 825-99-0.
Molecular formula C8H8O2S, molecular weight 168.21.
It is also registered under: 3-(Methylthio)benzoic acid, 3-(甲硫基)苯甲酸.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 3-(Methylthio)benzoic acid (CAS 825-99-0), compiled from public chemistry databases.
| CAS Registry Number | 825-99-0 |
|---|---|
| PubChem CID | 220329 |
| Molecular formula | C8H8O2S |
| IUPAC name | 3-methylsulfanylbenzoic acid |
| UNII (FDA) | 9F9KVQ2KQE |
| 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 |
3-(Methylthio)benzoic acid; 825-99-0; DTXSID60277574; RefChem:495596; DTXCID50228732; 677-029-6; 3-methylsulfanylbenzoic acid; 3-(Methylsulfanyl)benzoic acid; 3-(methylthio) benzoic acid; Benzoic acid, 3-(methylthio)-; 3-(Methylthio)BenzoicAcid; MFCD00156993; Benzoic acid, m-(methylthio)-; 3-Mercaptobenzoic acid S-methyl ether; NSC-2937; 3-Methylsulfanyl-benzoic acid
| Reported hazard statements | H315 (100%), H319 (100%), H335 (83.3%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
3-(Methylthio)benzoic acid · CAS 825-99-0 · C8H8O2S. UNII 9F9KVQ2KQE.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-(甲硫基)苯甲酸