3-Nitrophenylethyl sulfide

Base Information

• Chemical Name: 3-Nitrophenylethyl sulfide
• CAS No.: 155172-70-6
• Molecular Formula: C11H15 N3 O6
• Molecular Weight: 285.25
• DSSTox Substance ID: DTXSID90703331
• Wikidata: Q82635458
• Mol file: 155172-70-6.mol

Synonyms:155172-70-6;3-NITROPHENYLETHYL SULFIDE;1-nitro-3-[2-[2-(3-nitrophenyl)ethylsulfanyl]ethyl]benzene;3-NITROPHENYLETHYLSULFIDE;1,1'-[Sulfanediyldi(ethane-2,1-diyl)]bis(3-nitrobenzene);DTXSID90703331;FPFMECBKQOLDDO-UHFFFAOYSA-N

Chemical Property of 3-Nitrophenylethyl sulfide

Chemical Property:

• PKA: 3.71±0.18(Predicted)
• PSA: 116.94000
• LogP: 5.06780
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 332.08307817
• Heavy Atom Count: 23
• Complexity: 361

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CCSCCC2=CC(=CC=C2)[N+](=O)[O-]