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1-(2-Chloroethyl)-4-(dimethylamino)-6-(methylsulfanyl)-1,3,5-triazin-2(1H)-one
SpectraBase Compound ID JcOcHCUAeOJ
InChI InChI=1S/C8H13ClN4OS/c1-12(2)6-10-7(14)13(5-4-9)8(11-6)15-3/h4-5H2,1-3H3
InChIKey CPPLDUOVZHBFET-UHFFFAOYSA-N
Mol Weight 248.73 g/mol
Molecular Formula C8H13ClN4OS
Exact Mass 248.04986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KjgTtYM2S0
Name 1-(2-Chloroethyl)-4-(dimethylamino)-6-(methylsulfanyl)-1,3,5-triazin-2(1H)-one
CAS Registry Number 65248-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13ClN4OS
InChI InChI=1S/C8H13ClN4OS/c1-12(2)6-10-7(14)13(5-4-9)8(11-6)15-3/h4-5H2,1-3H3
InChIKey CPPLDUOVZHBFET-UHFFFAOYSA-N
Molecular Weight 248.732 g/mol
SMILES CN(C)C1=NC(N(CCCl)C(=N1)SC)=O
SPLASH splash10-0udi-0190000000-bc5a38bc071f54a7f069
Source of Spectrum W5-1989-36476-29060
Synonyms 1-(2-Chloroethyl)-4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-one 1-(2-Chloroethyl)-4-(dimethylamino)-6-(methylthio)-s-triazin-2-one 1-(2-Chloroethyl)-4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-one 1-(2-Chloroethyl)-4-dimethylamino-6-methylthio-1,3,5-triazin-2(1H)-one
Wiley ID 1250409