3-[(4-Chlorobenzyl)thio]propanenitrile

Base Information

• Chemical Name: 3-[(4-Chlorobenzyl)thio]propanenitrile
• CAS No.: 253122-97-3
• Molecular Formula: C10H10 Cl N S
• Molecular Weight: 211.71
• DSSTox Substance ID: DTXSID70383857
• Wikidata: Q82175658
• Mol file: 253122-97-3.mol

Synonyms:3-[(4-chlorobenzyl)thio]propanenitrile;253122-97-3;3-[(4-chlorophenyl)methylsulfanyl]propanenitrile;Propanenitrile,3-[[(4-chlorophenyl)methyl]thio]-;DTXSID70383857

Chemical Property of 3-[(4-Chlorobenzyl)thio]propanenitrile

Chemical Property:

• PSA: 49.09000
• LogP: 3.48688
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 211.0222482
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CSCCC#N)Cl