1-Propanesulfonic acid, 3-[(2-cyanoethyl)thio]-

Base Information

• Chemical Name: 1-Propanesulfonic acid, 3-[(2-cyanoethyl)thio]-
• CAS No.: 68957-68-6
• Molecular Formula: C6H11 N O3 S2
• Molecular Weight: 209.28644
• European Community (EC) Number: 273-360-1
• UNII: 323Z6SU9BJ
• DSSTox Substance ID: DTXSID0071912
• Nikkaji Number: J310.627F
• Wikidata: Q81999748
• Mol file: 68957-68-6.mol

Synonyms:1-propanesulfonic acid, 3-[(2-cyanoethyl)thio]-;68957-68-6;323Z6SU9BJ;3-((2-Cyanoethyl)thio)propanesulphonic acid;1-Propanesulfonic acid, 3-((2-cyanoethyl)thio)-;EINECS 273-360-1;3-((2-Cyanoethyl)thio)-1-propanesulfonic acid;3-[(2-cyanoethyl)thio]propanesulphonic acid;3-[(2-Cyanoethyl)thio]-1-propanesulfonic acid;UNII-323Z6SU9BJ;C6H11NO3S2;DTXSID0071912;C6-H11-N-O3-S2

Chemical Property of 1-Propanesulfonic acid, 3-[(2-cyanoethyl)thio]-

Chemical Property:

• PSA: 111.84000
• Density: 1.363g/cm³
• LogP: 1.99198
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 209.01803556
• Heavy Atom Count: 12
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CSCCC#N)CS(=O)(=O)O