2-(Propylthio)nicotinic acid

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Systematic / IUPAC Name: 2-Propylsulfanylpyridine-3-carboxylic acid

ID: Reference8728

Other Names: 2-(N-Propylmercapto)nicotinic acid;
2-(N-Propylthio)nicotinic acid;
2-(Prop-1-ylsulphanyl)pyridine-3-carboxylic acid;
2-Propylthiopyridine-3-carboxylic acid;
3-Pyridinecarboxylicacid, 2-(propylthio)-

Formula: C9H11NO2S

Spectral Data

2-(Propylthio)nicotinic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 110
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/8/2019 12:29:13 PM
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Identificators

InChI InChI=1S/C9H11NO2S/c1-2-6-13-8-7(9(11)12)4-3-5-10-8/h3-5H,2,6H2,1H3,(H,11,12)
InChI Key CSMDLVRDBYKTAH-UHFFFAOYSA-N
Canonical SMILES CCCSC1=C(C=CC=N1)C(=O)O
CAS 175135225
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Other Names 2-(N-Propylmercapto)nicotinic acid;
2-(N-Propylthio)nicotinic acid;
2-(Prop-1-ylsulphanyl)pyridine-3-carboxylic acid;
2-Propylthiopyridine-3-carboxylic acid;
3-Pyridinecarboxylicacid, 2-(propylthio)-

In Other Databases

ChEMBL CHEMBL1333196
PubChem 2774526
ChemSpider 2054922