| Identification | Back Directory | [Name]
3-acetylsulfanylpropanoic acid | [CAS]
41345-70-4 | [Synonyms]
NSC 96653
3-(Acetylthio)propanoic acid
3-acetylsulfanylpropanoic acid
3-acetylsulfanyl-propionic acid
Propanoic acid, 3-(acetylthio)-
3-(Acetylthio)propionic acid 96%
S-Acetyl-3-mercaptopropionic acid
Thioacetic Acid S-(2-Carboxyethyl) Ester | [Molecular Formula]
C5H8O3S | [MDL Number]
MFCD06208418 | [MOL File]
41345-70-4.mol | [Molecular Weight]
148.18 |
| Chemical Properties | Back Directory | [Melting point ]
48-52 °C | [Boiling point ]
128°C/3mmHg(lit.) | [density ]
1.268±0.06 g/cm3(Predicted) | [Fp ]
110 °C | [storage temp. ]
2-8°C, stored under nitrogen | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
4.13±0.10(Predicted) | [color ]
White to Light yellow | [InChI]
1S/C5H8O3S/c1-4(6)9-3-2-5(7)8/h2-3H2,1H3,(H,7,8) | [InChIKey]
AYQXANXXZYKTDL-UHFFFAOYSA-N | [SMILES]
CC(=O)SCCC(O)=O |
| Hazard Information | Back Directory | [Chemical Properties]
Brown Crystalline Solid | [Uses]
3-acetylsulfanylpropanoic acid is a useful synthetic intermediate.
| [Purification Methods]
Purify the propionic acid by distillation in a vacuum. It has max at 231nm ( 4200). It is a potential enzyme inhibitor [Noda et al. J Am Chem Soc 75 914 1953, Clegg et al. J Am Chem Soc 121 5319 2004, Clegg & Hutchinson Angew Chem, Int Edn 43 3716 2005]. [Beilstein 3 III 551, 3 IV 731.] |
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