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S-(2,5,6-trichloro-3-pyridyl) benzenecarbothioate
SpectraBase Compound ID DjpAFh195B9
InChI InChI=1S/C12H6Cl3NOS/c13-8-6-9(11(15)16-10(8)14)18-12(17)7-4-2-1-3-5-7/h1-6H
InChIKey QXQOQHLRSWENFT-UHFFFAOYSA-N
Mol Weight 318.61 g/mol
Molecular Formula C12H6Cl3NOS
Exact Mass 316.923568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AKxpHfq35u
Name S-(2,5,6-trichloro-3-pyridyl) benzenecarbothioate
CAS Registry Number 116588-88-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6Cl3NOS
InChI InChI=1S/C12H6Cl3NOS/c13-8-6-9(11(15)16-10(8)14)18-12(17)7-4-2-1-3-5-7/h1-6H
InChIKey QXQOQHLRSWENFT-UHFFFAOYSA-N
Molecular Weight 318.605 g/mol
SMILES c1(nc(c(cc1SC(=O)c1ccccc1)Cl)Cl)Cl
SPLASH splash10-0a4i-0900000000-a7a516efc886c747693a
Source of Spectrum Y-24-1571-9
Synonyms S-(2,5,6-trichloropyridin-3-yl) benzenecarbothioate thiobenzoic acid S-(2,5,6-trichloro-3-pyridyl) ester benzenecarbothioic acid S-(2,5,6-trichloro-3-pyridinyl) ester
Wiley ID 1317487