Isoleucine, 3-mercapto-

Base Information

• Chemical Name: Isoleucine, 3-mercapto-
• CAS No.: 21213-64-9
• Molecular Formula: C₆H₁₃NO₂S
• Molecular Weight: 163.241
• DSSTox Substance ID: DTXSID20708157
• Wikidata: Q82642288
• Mol file: 21213-64-9.mol

Synonyms:Isoleucine, 3-mercapto-;21213-64-9;(2R,3R)-2-amino-3-methyl-3-sulfanylpentanoic acid;SCHEMBL3896559;DTXSID20708157;(2R,3R)-2-Amino-3-methyl-3-sulfanylpentanoic acid (non-preferred name)

Chemical Property of Isoleucine, 3-mercapto-

Chemical Property:

• PSA: 102.12000
• LogP: 1.19710
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 163.06669983
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

DL-3-THIOLISOLEUCINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C(C(=O)O)N)S
• Isomeric SMILES: CC[C@](C)([C@@H](C(=O)O)N)S