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1(2H)-Pyridinecarbothioic acid, tetrahydro-, o-[2-(methylthio)-5-pyrimidinyl] ester
SpectraBase Compound ID LURW0GcvEWq
InChI InChI=1S/C11H15N3OS2/c1-17-10-12-7-9(8-13-10)15-11(16)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3
InChIKey CZEIFZIVZWVJNY-UHFFFAOYSA-N
Mol Weight 269.38 g/mol
Molecular Formula C11H15N3OS2
Exact Mass 269.065654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pbLSYPtJzB
Name 1(2H)-Pyridinecarbothioic acid, tetrahydro-, o-[2-(methylthio)-5-pyrimidinyl] ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15N3OS2
InChI InChI=1S/C11H15N3OS2/c1-17-10-12-7-9(8-13-10)15-11(16)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3
InChIKey CZEIFZIVZWVJNY-UHFFFAOYSA-N
Molecular Weight 269.381 g/mol
SMILES C(N1CCCCC1)(Oc1cnc(SC)nc1)=S
SPLASH splash10-03xr-9800000000-1ac98ae5401289a29c8d
Synonyms O-(2-methylsulfanylpyrimidin-5-yl) piperidine-1-carbothioate 1-Piperidinecarbothioic acid O-[2-(methylthio)-5-pyrimidinyl] ester
Wiley ID 1450151