3-(Benzylthio)valine | CAS No. 5699-80-9

3-(Benzylthio)valine

Basic Information

CAS Number

5699-80-9

Molecular Formula

C12H17NO2S

Molecular Weight

239.34 g/mol

AD

Basic Physical Properties

CC(C)(C(C(=O)O)N)SCC1=CC=CC=C1

InChI

InChI=1S/C12H17NO2S/c1-12(2,10(13)11(14)15)16-8-9-6-4-3-5-7-9/h3-7,10H,8,13H2,1-2H3,(H,14,15)

InChIKey

YPZAXRYHYTVHPA-UHFFFAOYSA-N

LogP

2.1103000000000005

Topological Polar Surface Area

63.31999999999999 Ų

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

237

Synonyms & References

English

  • 2-amino-3-benzylsulfanyl-3-methylbutanoic acid
  • NSC-144289
  • NSC-132638
  • SCHEMBL11799494
  • 54536-38-8
  • 3-(benzylthio)valine
  • NSC144289
  • NSC49231
  • NCI60_002281
  • NSC28059
  • 2-amino-3-benzylsulfanyl-3-methyl-butanoic acid
  • 5699-80-9
  • DS-000773
  • NSC-49231
  • CHEMBL2010136
  • NSC132638

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