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1-(2,2,2-Trichloro-1-isobutyramidoethyl)-3-(2,4,6-trichlorophenyl)-2-thiourea
SpectraBase Compound ID LbUkVVQbSp
InChI InChI=1S/C13H13Cl6N3OS/c1-5(2)10(23)21-11(13(17,18)19)22-12(24)20-9-7(15)3-6(14)4-8(9)16/h3-5,11H,1-2H3,(H,21,23)(H2,20,22,24)
InChIKey YSMVBDJUCMCDBW-UHFFFAOYSA-N
Mol Weight 472.0 g/mol
Molecular Formula C13H13Cl6N3OS
Exact Mass 468.891049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RQ9heTebd9
Name 1-(2,2,2-Trichloro-1-isobutyramidoethyl)-3-(2,4,6-trichlorophenyl)-2-thiourea
Alternate Name(s) 2-Methyl-N-(2,2,2-trichloro-1-([(2,4,6-trichloroanilino)carbothioyl]amino)ethyl)propanamide 2-Methyl-N-[2,2,2-trichloro-1-[(2,4,6-trichlorophenyl)carbamothioylamino]ethyl]propanamide 2-Methyl-N-[2,2,2-trichloro-1-[(2,4,6-trichlorophenyl)thiocarbamoylamino]ethyl]propionamide 2-Methyl-N-[2,2,2-trichloro-1-[[sulfanylidene-(2,4,6-trichloroanilino)methyl]amino]ethyl]propanamide 2-Methyl-N-[2,2,2-tris(chloranyl)-1-[[2,4,6-tris(chloranyl)phenyl]carbamothioylamino]ethyl]propanamide
CAS Registry Number 302953-95-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13Cl6N3OS
InChI InChI=1S/C13H13Cl6N3OS/c1-5(2)10(23)21-11(13(17,18)19)22-12(24)20-9-7(15)3-6(14)4-8(9)16/h3-5,11H,1-2H3,(H,21,23)(H2,20,22,24)
InChIKey YSMVBDJUCMCDBW-UHFFFAOYSA-N
Molecular Weight 472.045 g/mol
SMILES N(c1c(cc(cc1Cl)Cl)Cl)C(NC(C(Cl)(Cl)Cl)NC(=O)C(C)C)=S
SPLASH splash10-0006-9210000000-1e6b3179dd7130993e58
Wiley ID 1469035