3-(Methylthio)benzoic acid
- CAS NO.：825-99-0
- Empirical Formula: C8H8O2S
- Molecular Weight: 168.21
- MDL number: MFCD00156993
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-09 09:30:53
What is 3-(Methylthio)benzoic acid?
The Uses of 3-(Methylthio)benzoic acid
It is used in the de novo design of small molecule inhibitors targeting the LEDGF/p75-HIV integrase interaction.
Properties of 3-(Methylthio)benzoic acid
| 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 |
Safety information for 3-(Methylthio)benzoic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 3-(Methylthio)benzoic acid
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