S-[2-amino-3-(2-methylphenyl)propyl] ethanethioate

Base Information

• Chemical Name: S-[2-amino-3-(2-methylphenyl)propyl] ethanethioate
• CAS No.: 792876-79-0
• Molecular Formula: C12H17 N O S
• Molecular Weight: 223.33448
• DSSTox Substance ID: DTXSID20596894
• Mol file: 792876-79-0.mol

Synonyms:S-[2-amino-3-(2-methylphenyl)propyl] ethanethioate;SCHEMBL9322510;DTXSID20596894

Chemical Property of S-[2-amino-3-(2-methylphenyl)propyl] ethanethioate

Chemical Property:

• PSA: 68.39000
• LogP: 2.84480
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 223.10308534
• Heavy Atom Count: 15
• Complexity: 208

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CC(CSC(=O)C)N

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