2-(Hexadecylthio)-3-methylbutanoic acid

CAS Registry Number®

113184-21-7
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CAS Name

2-(Hexadecylthio)-3-methylbutanoic acid

Molecular Formula

C21H42O2S

Molecular Mass

358.62

Cite this Page

2-(Hexadecylthio)-3-methylbutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=113184-21-7 (retrieved 2024-08-02) (CAS RN: 113184-21-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H42O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20(19(2)3)21(22)23/h19-20H,4-18H2,1-3H3,(H,22,23)

InChIKey

InChIKey=YEHFDLIBBSRXMU-UHFFFAOYSA-N

SMILES

C(SCCCCCCCCCCCCCCCC)(C(C)C)C(O)=O

Canonical SMILES

O=C(O)C(SCCCCCCCCCCCCCCCC)C(C)C

Other Names for this Substance

  • Butanoic acid, 2-(hexadecylthio)-3-methyl-
  • 2-(Hexadecylthio)-3-methylbutanoic acid