(R)-3-((4-Allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-aminopropanoic acid

Base Information

• Chemical Name: (R)-3-((4-Allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-aminopropanoic acid
• CAS No.: 677729-66-7
• Molecular Formula: C14H15ClN4O2S
• DSSTox Substance ID: DTXSID60514476
• Nikkaji Number: J2.027.737H
• Wikidata: Q82374829

Synonyms:677729-66-7;(R)-3-((4-Allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-aminopropanoic acid;DTXSID60514476;S-[5-(2-Chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-L-cysteine

Chemical Property of (R)-3-((4-Allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-aminopropanoic acid

Chemical Property:

• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 338.0604246
• Heavy Atom Count: 22
• Complexity: 401

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN1C(=NN=C1SCC(C(=O)O)N)C2=CC=CC=C2Cl
• Isomeric SMILES: C=CCN1C(=NN=C1SC[C@@H](C(=O)O)N)C2=CC=CC=C2Cl

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