3-(Allylthio)-benzeneboronic acid

Base Information

• Chemical Name: 3-(Allylthio)-benzeneboronic acid
• CAS No.: 915401-98-8
• Molecular Formula: C9H11BO2S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID40590218
• Wikidata: Q82483935
• Mol file: 915401-98-8.mol

Synonyms:3-(Allylthio)-benzeneboronic acid;915401-98-8;(3-(Allylthio)phenyl)boronic acid;[3-(prop-2-en-1-ylsulfanyl)phenyl]boronic acid;3-(Allylthio)benzeneboronic acid;starbld0019080;DTXSID40590218;AKOS006289542;DB-314639;{3-[(Prop-2-en-1-yl)sulfanyl]phenyl}boronic acid

Chemical Property of 3-(Allylthio)-benzeneboronic acid

Chemical Property:

• PSA: 65.76000
• LogP: 0.64450
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.0572809
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

97% ^*data from raw suppliers

3-(ALLYLTHIO)-BENZENEBORONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)SCC=C)(O)O