20291-99-0

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20291-99-0 Structure

Identification	Back Directory
[Name] tert-Butyl 2-mercaptoacetate
[CAS] 20291-99-0
[Synonyms] tert-Butyl 2-mercaptoacetate Acetic acid, 2-mercapto-, 1,1-dimethylethyl ester
[Molecular Formula] C6H12O2S
[MDL Number] MFCD25960778
[MOL File] 20291-99-0.mol
[Molecular Weight] 148.22

Chemical Properties	Back Directory
[Boiling point ] 31-32 °C(Press: 11 Torr)
[density ] 1.021±0.06 g/cm3(Predicted)
[pka] 7.98±0.10(Predicted)
[InChI] InChI=1S/C6H12O2S/c1-6(2,3)8-5(7)4-9/h9H,4H2,1-3H3
[InChIKey] YXIMCNGUIIEJMO-UHFFFAOYSA-N
[SMILES] C(OC(C)(C)C)(=O)CS

Safety Data	Back Directory
[Symbol(GHS) ] GHS02,GHS07,GHS06
[Signal word ] Danger
[Hazard statements ] H301-H319-H226-H335-H315-H332
[Precautionary statements ] P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P

Hazard Information	Back Directory
[Uses] tert-Butyl 2-Sulfanylacetate is a useful reagent in the synthesis of enantiopure thioester (R)-2-(2-benzamidopropanoylthio)acetic; a key substrate for screening sensitivity of penicillin binding proteins to inhibitors.

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