5-(1,1-Dimethylethyl)-2-methyl-1-[2-(methylthio)ethyl]-1H-pyrrole-3-carboxylic acid

CAS Registry Number®

306936-21-0
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CAS Name

5-(1,1-Dimethylethyl)-2-methyl-1-[2-(methylthio)ethyl]-1H-pyrrole-3-carboxylic acid

Molecular Formula

C13H21NO2S

Molecular Mass

255.38

Cite this Page

5-(1,1-Dimethylethyl)-2-methyl-1-[2-(methylthio)ethyl]-1H-pyrrole-3-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=306936-21-0 (retrieved 2024-07-07) (CAS RN: 306936-21-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H21NO2S/c1-9-10(12(15)16)8-11(13(2,3)4)14(9)6-7-17-5/h8H,6-7H2,1-5H3,(H,15,16)

InChIKey

InChIKey=AUUYXQMZFYTWIL-UHFFFAOYSA-N

SMILES

C(C)(C)(C)C=1N(CCSC)C(C)=C(C(O)=O)C1

Canonical SMILES

O=C(O)C=1C=C(N(C1C)CCSC)C(C)(C)C

Other Names for this Substance

  • 1H-Pyrrole-3-carboxylic acid, 5-(1,1-dimethylethyl)-2-methyl-1-[2-(methylthio)ethyl]-
  • 5-(1,1-Dimethylethyl)-2-methyl-1-[2-(methylthio)ethyl]-1H-pyrrole-3-carboxylic acid