3-(Hydroxymethyl)-6-[2-(methylsulfanyl)ethyl]piperazine-2,5-dione

Base Information

• Chemical Name: 3-(Hydroxymethyl)-6-[2-(methylsulfanyl)ethyl]piperazine-2,5-dione
• CAS No.: 677021-07-7
• Molecular Formula: C8H14N2O3S
• Molecular Weight: 218.27336
• DSSTox Substance ID: DTXSID40435675
• Mol file: 677021-07-7.mol

Synonyms:677021-07-7;3-(Hydroxymethyl)-6-[2-(methylsulfanyl)ethyl]piperazine-2,5-dione;DTXSID40435675;2,5-Piperazinedione,3-(hydroxymethyl)-6-[2-(methylthio)ethyl]-(9ci)

Chemical Property of 3-(Hydroxymethyl)-6-[2-(methylsulfanyl)ethyl]piperazine-2,5-dione

Chemical Property:

• PSA: 110.71000
• LogP: -0.73320
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 218.07251349
• Heavy Atom Count: 14
• Complexity: 235

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCCC1C(=O)NC(C(=O)N1)CO