4-(Methylsulfonyl)piperazin-2-one

Base Information

• Chemical Name: 4-(Methylsulfonyl)piperazin-2-one
• CAS No.: 59701-96-1
• Molecular Formula: C5H10N2O3S
• Molecular Weight: 178.2095
• European Community (EC) Number: 696-335-0
• DSSTox Substance ID: DTXSID20525967
• Wikidata: Q82394003
• Mol file: 59701-96-1.mol

Synonyms:59701-96-1;4-(METHYLSULFONYL)PIPERAZIN-2-ONE;4-methanesulfonylpiperazin-2-one;4-methylsulfonylpiperazin-2-one;PIPERAZINONE, 4-(METHYLSULFONYL)- (9CI);SCHEMBL3558395;DTXSID20525967;OOGMZUVDPWTYIC-UHFFFAOYSA-N;4-(Methanesulfonyl)piperazin-2-one;AKOS009053972;Piperazinone,4-(methylsulfonyl)-(9ci);CS-0222903;EN300-113097;F83096;Z133718524

Chemical Property of 4-(Methylsulfonyl)piperazin-2-one

Chemical Property:

• PSA: 78.35000
• LogP: -0.32760
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 178.04121336
• Heavy Atom Count: 11
• Complexity: 253

Purity/Quality:

99%min ^*data from raw suppliers

4-methanesulfonylpiperazin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)N1CCNC(=O)C1