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| IUPAC Name: | 3-methylsulfanylbenzoic acid |
| Description: | 3-(Methylthio)benzoic acid (CAS# 825-99-0) is a useful research chemical. |
| Molecular Weight: | 168.21 |
| Molecular Formula: | C8H8O2S |
| Canonical SMILES: | CSC1=CC=CC(=C1)C(=O)O |
| InChI: | InChI=1S/C8H8O2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10) |
| InChI Key: | PZGADOOBMVLBJE-UHFFFAOYSA-N |
| Boiling Point: | 321.5 °C at 760 mmHg |
| Melting Point: | 126-130 °C |
| Purity: | 97 % |
| Density: | 1.28 g/cm3 |
| Appearance: | White to off-white powder |
| MDL: | MFCD00156993 |
| LogP: | 2.10670 |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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