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1-Butyl-3-(2-chloro-phenylsu1fonyl)-2-methyl-isothiourea
SpectraBase Compound ID CtnHFz4Gsgz
InChI InChI=1S/C12H17ClN2O2S2/c1-3-4-9-14-12(18-2)15-19(16,17)11-8-6-5-7-10(11)13/h5-8H,3-4,9H2,1-2H3,(H,14,15)
InChIKey XRUQEKHKMIXAIV-UHFFFAOYSA-N
Mol Weight 320.85 g/mol
Molecular Formula C12H17ClN2O2S2
Exact Mass 320.041998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96FOaTYh1XN
Name 1-Butyl-3-(2-chloro-phenylsu1fonyl)-2-methyl-isothiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17ClN2O2S2
InChI InChI=1S/C12H17ClN2O2S2/c1-3-4-9-14-12(18-2)15-19(16,17)11-8-6-5-7-10(11)13/h5-8H,3-4,9H2,1-2H3,(H,14,15)
InChIKey XRUQEKHKMIXAIV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19913330148
Molecular Weight 320.853 g/mol
SMILES N(C(=NS(=O)(=O)c1c(cccc1)Cl)SC)CCCC
SPLASH splash10-01t9-2910000000-64c848f8e9f4f529bebb
Source of Spectrum JF-333-189-7
Synonyms Methyl N-butyl-N'-((2-chlorophenyl)sulfonyl)carbamimidothioate
Wiley ID 1789670