For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(5-Chloro-2-pyridyl)-3-(2,2,2-trichloro-1-isovaleramidoethyl)-2-thiourea
SpectraBase Compound ID 3krMN5bf7wg
InChI InChI=1S/C13H16Cl4N4OS/c1-7(2)5-10(22)20-11(13(15,16)17)21-12(23)19-9-4-3-8(14)6-18-9/h3-4,6-7,11H,5H2,1-2H3,(H,20,22)(H2,18,19,21,23)
InChIKey FHJARNONRYVTPN-UHFFFAOYSA-N
Mol Weight 418.2 g/mol
Molecular Formula C13H16Cl4N4OS
Exact Mass 415.979893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7j0W7KRibJh
Name 1-(5-Chloro-2-pyridyl)-3-(2,2,2-trichloro-1-isovaleramidoethyl)-2-thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16Cl4N4OS
InChI InChI=1S/C13H16Cl4N4OS/c1-7(2)5-10(22)20-11(13(15,16)17)21-12(23)19-9-4-3-8(14)6-18-9/h3-4,6-7,11H,5H2,1-2H3,(H,20,22)(H2,18,19,21,23)
InChIKey FHJARNONRYVTPN-UHFFFAOYSA-N
Molecular Weight 418.170 g/mol
SMILES N(c1ccc(cn1)Cl)C(NC(C(Cl)(Cl)Cl)NC(=O)CC(C)C)=S
SPLASH splash10-06rf-9510000000-c2cdbbedd4511ccfef52
Synonyms 3-Methyl-N-[2,2,2-trichloro-1-(([(5-chloro-2-pyridinyl)amino]carbothioyl)amino)ethyl]butanamide 3-Methyl-N-[2,2,2-trichloro-1-[(5-chloro-2-pyridyl)carbamothioylamino]ethyl]butanamide 3-Methyl-N-[2,2,2-trichloro-1-[(5-chloro-2-pyridyl)thiocarbamoylamino]ethyl]butyramide 3-Methyl-N-[2,2,2-trichloro-1-[(5-chloropyridin-2-yl)carbamothioylamino]ethyl]butanamide 3-Methyl-N-[2,2,2-trichloro-1-[[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]ethyl]butanamide 3-Methyl-N-[2,2,2-tris(chloranyl)-1-[(5-chloranylpyridin-2-yl)carbamothioylamino]ethyl]butanamide
Wiley ID 1468863