S-[2-(Acetylamino)Ethyl] 3-Oxobutanethioate
[CAS# 23255-41-6]

Identification

• Name: S-[2-(Acetylamino)Ethyl] 3-Oxobutanethioate
• Synonyms: 3-Oxobutanethioic Acid S-(2-Acetamidoethyl) Ester; 3-Ketobutanethioic Acid S-(2-Acetamidoethyl) Ester
• Molecular Formula: C₈H₁₃NO₃S
• Molecular Weight: 203.26
• CAS Registry Number: 23255-41-6
• EINECS: 245-526-3
• SMILES: C(SC(CC(C)=O)=O)CNC(C)=O
• InChI: 1S/C8H13NO3S/c1-6(10)5-8(12)13-4-3-9-7(2)11/h3-5H2,1-2H3,(H,9,11)
• InChIKey: JFTGQZKJAXFLDQ-UHFFFAOYSA-N

Properties

• Density: 1.163g/cm³ (Cal.)
• Boiling point: 394.271°C at 760 mmHg (Cal.)
• Flash point: 192.248°C (Cal.)

References

• (1): Zhou et al.. A fungal ketoreductase domain that displays substrate-dependent stereospecificity, Nature Chemical Biology, 2012