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20291-99-0

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20291-99-0 Structure

20291-99-0 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)Skull and Crossbones (GHS06)
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 InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

tert-Butyl 2-mercaptoacetate(20291-99-0)1HNMR
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