3-(Benzylthio)valine

Base Information

• Chemical Name: 3-(Benzylthio)valine
• CAS No.: 5699-80-9
• Molecular Formula: C12H17NO2S
• Molecular Weight: 239.3339
• NSC Number: 144289,132638,49231
• ChEMBL ID: CHEMBL2010136

Synonyms:3-(benzylthio)valine;S-Benzyl-DL-penicillamine;75323-55-6;NSC28059;NSC144289;CHEMBL2010136;SCHEMBL11799494;NSC49231;NSC-49231;NSC132638;NSC-132638;NSC-144289;5699-80-9;NCI60_002281

Chemical Property of 3-(Benzylthio)valine

Chemical Property:

• Vapor Pressure: 1.02E-06mmHg at 25°C
• Boiling Point: 388.1°Cat760mmHg
• Flash Point: 188.5°C
• Density: 1.19g/cm³
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 239.09799996
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

90%,98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(C(=O)O)N)SCC1=CC=CC=C1

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