3-(Methylthio)benzoic acid
- CAS No.
- 825-99-0
- Chemical Name:
- 3-(Methylthio)benzoic acid
- Synonyms
- 3-MethylbenzothioicO-acid;3-(Methylthio)benzoic acid;3-methylsulfanylbenzoic acid;3-(Methylthio)benzoicAcid>Benzoic acid, 3-(methylthio)-;3-(METHYLTHIO)BENZOIC ACID 97;3-(Methylthio)benzoic acid 97%;3-(Methylthio)benzoic acid 98+%;3-(Methylsulphanyl)benzoic acid, 3-Carboxythioanisole
- CBNumber:
- CB8499916
- Molecular Formula:
- C8H8O2S
- Molecular Weight:
- 168.21
- MDL Number:
- MFCD00156993
- MOL File:
- 825-99-0.mol
- MSDS File:
- SDS
| Product description | Number | Pack Size | Price |
| 3-(Methylthio)benzoic Acid >98.0%(GC)(T) | M1853 | 1g | $116 |
| 3-(Methylthio)benzoic Acid >98.0%(GC)(T) | M1853 | 5g | $460 |
| 3-(Methylthio)benzoic acid Asreported | 281889 | 25g | $991 |
| 3-(Methylthio)benzoic acid Asreported | 281889 | 50g | $1507 |
| 3-(Methylthio)benzoic acid Asreported | 281889 | 100g | $2471 |
| More product size | |||
| Melting point | 126-130 °C (lit.) |
|---|---|
| Boiling point | 321.5±25.0 °C(Predicted) |
| Density | 1.28±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 4.05±0.10(Predicted) |
| color | White to Almost white |
| InChI | InChI=1S/C8H8O2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey | PZGADOOBMVLBJE-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC(SC)=C1 |
| FDA UNII | 9F9KVQ2KQE |
| UNSPSC Code | 12352100 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| PPE | Eyeshields, Gloves, type N95 (US) | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 2930909899 | |||||||||
| Storage Class | 13 - Non Combustible Solids | |||||||||
| NFPA 704 |
|
3-(Methylthio)benzoic acid price More Price(53)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TCI Chemical | M1853 | 3-(Methylthio)benzoic Acid >98.0%(GC)(T) | 825-99-0 | 1g | $116 | 2026-04-30 | Buy |
| TCI Chemical | M1853 | 3-(Methylthio)benzoic Acid >98.0%(GC)(T) | 825-99-0 | 5g | $460 | 2026-04-30 | Buy |
| Usbiological | 281889 | 3-(Methylthio)benzoic acid Asreported | 825-99-0 | 25g | $991 | 2026-06-03 | Buy |
| Usbiological | 281889 | 3-(Methylthio)benzoic acid Asreported | 825-99-0 | 50g | $1507 | 2026-06-03 | Buy |
| Usbiological | 281889 | 3-(Methylthio)benzoic acid Asreported | 825-99-0 | 100g | $2471 | 2026-06-03 | Buy |
3-(Methylthio)benzoic acid Chemical Properties,Uses,Production
Uses
It is used in the de novo design of small molecule inhibitors targeting the LEDGF/p75-HIV integrase interaction.
Synthesis
90721-40-7
825-99-0
Methyl iodide (0.972 mL) was slowly added to a solution of DMF (8 mL) containing 3-mercaptobenzoic acid (601 mg, 3.9 mmol) and potassium carbonate (2.7 g, 19.5 mmol) under ice bath conditions. The reaction mixture was gradually warmed to room temperature and stirred continuously for 1 hour. After the reaction was completed, the reaction mixture was diluted with ethyl acetate, washed with water three times sequentially, and the organic phase was dried with anhydrous sodium sulfate, filtered and concentrated to give methyl 3-methylthiobenzoate (684 mg, 96%, yellow oil).1H NMR (CDCl3, δ ppm): 7.90 (s, 1H), 7.80 (d, 1H), 7.44 (d, 1H), 7.35 (t, 1H). 7.35 (t, 1H), 3.92 (s, 3H), 2.53 (s, 3H). Methyl 3-methylthiobenzoate (684 mg, 3.8 mmol) was dissolved in a mixed solvent of methanol (8 mL) and THF (8 mL), 1 N NaOH aqueous solution (5.6 mL, 5.6 mmol) was added, and the reaction was heated for 1 hr at 70 °C. After completion of the reaction, the reaction mixture was concentrated and the residue was diluted with water. After adjusting the pH to 2 with 1 N HCl, the aqueous phase was extracted with ethyl acetate, the organic phase was washed with water and saturated saline in turn, dried over anhydrous sodium sulfate, filtered and concentrated to give 3-methylthiobenzoic acid (616 mg, 97%, white solid).1H NMR (DMSO, δ ppm): 13.1 (bs, 1H), 7.76 (s, 1H), 7.70 (d, 1H ), 7.51 (d, 1H), 7.44 (t, 1H), 2.52 (s, 3H).
References
[1] Patent: WO2004/14881, 2004, A2. Location in patent: Page 136
[2] Patent: WO2004/14370, 2004, A2. Location in patent: Page/Page column 61
3-(Methylthio)benzoic acid Preparation Products And Raw materials
Raw materials
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Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Capot Chemical Co.,Ltd. | +86-（0）57185586718 +86-13336195806 | sales@capot.com | China | 29640 | 60 |
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | sales@conier.com | China | 49979 | 58 |
| career henan chemical co | +86-0371-86658258 +8613203830695 | factory@coreychem.com | China | 29792 | 58 |
| Fuxin Pharmaceutical | +86-021-021-50872116 +8613122107989 | contact@fuxinpharm.com | China | 10000 | 58 |
| Hefei TNJ Chemical Industry Co.,Ltd. | +86-0551-65418671 +8618949823763 | sales@tnjchem.com | China | 34563 | 58 |
| Dayang Chem (Hangzhou) Co.,Ltd. | +86-0571-88938639 +8617705817739 | info@dycnchem.com | China | 52705 | 58 |
| Aromsyn Co., Ltd. | +86-0571-85585865 +8613336024896 | CB@aromsyn.com | China | 19183 | 58 |
| Hebei Chuanghai Biotechnology Co., Ltd | +8615531151365 | mina@chuanghaibio.com | China | 18126 | 58 |
| Zhengzhou Lingzhiyue Technology Co., Ltd | +86-0371-55074660 +86-13523716970 | Lingzhiyue@aliyun.com | China | 3145 | 58 |
| HANGZHOU LEAP CHEM CO., LTD. | +86-571-87711850 | market18@leapchem.com | China | 43333 | 58 |
View Lastest Price from 3-(Methylthio)benzoic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2019-12-25 | 3-(Methylthio)benzoic acid
825-99-0
|
$1.00 | 1KG | 99% | 200kg | Career Henan Chemical Co |
-
- 3-(Methylthio)benzoic acid
825-99-0
- $1.00
- 99%
- Career Henan Chemical Co
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