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4-chloro-2-(methylthio)-5-pyrimidinecarboxylic acid, ethyl ester
SpectraBase Compound ID 9XDiYSJlctC
InChI InChI=1S/C8H9ClN2O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3
InChIKey SNNHLSHDDGJVDM-UHFFFAOYSA-N
Mol Weight 232.68 g/mol
Molecular Formula C8H9ClN2O2S
Exact Mass 232.007326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeUwbUY5iHx
Name 5-Pyrimidinecarboxylic acid, 4-chloro-2-(methylthio)-, ethyl ester
CAS Registry Number 5909-24-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9ClN2O2S
InChI InChI=1S/C8H9ClN2O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3
InChIKey SNNHLSHDDGJVDM-UHFFFAOYSA-N
Molecular Weight 232.685 g/mol
SMILES C(OCC)(=O)c1c(Cl)nc(SC)nc1
SPLASH splash10-005a-9420000000-04669ced166f8a11f33c
Source of Spectrum W5-19938-0-0
Synonyms Ethyl 4-chloro-2-(methylsulfanyl)-5-pyrimidinecarboxylate 4-Chloro-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester 4-Chloro-5-carbethoxy-2-methylthiopyrimidine Ethyl 4-chloranyl-2-methylsulfanyl-pyrimidine-5-carboxylate Ethyl 4-chloro-2-(methylthio)-5-pyrimidinecarboxylate Ethyl 4-chloro-2-methylsulfanyl-pyrimidine-5-carboxylate EINECS 227-619-0
Wiley ID 1233180