Dimethylthiocarbamoyl chloride(16420-13-6) MS
Product NameDimethylthiocarbamoyl chloride
CAS16420-13-6
Molecular FormulaC3H6ClNS
Molecular Weight123.6
InChIInChI=1S/C3H6ClNS/c1-5(2)3(4)6/h1-2H3
InChIKey PHWISQNXPLXQRU-UHFFFAOYSA-N
SmilesC(=S)(Cl)N(C)C
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MassMS-IW-8612 dimethylthiocarbamoyl chloride C3H6ClNS (Mass of molecular ion: 123)
Source Temperature: 180 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 5.8 18.0 1.0 27.0 1.3 28.0 3.3 32.0 1.1 36.0 1.7 40.0 2.1 41.0 2.3 42.0 17.6 43.0 2.3 44.0 4.5 45.0 7.0 46.0 1.7 47.0 8.0 49.0 2.0 56.0 7.8 58.0 1.0 60.0 1.5 61.0 4.1 70.0 1.6 72.0 11.4 73.0 27.1 74.0 1.7 75.0 1.7 76.0 3.6 78.0 1.4 79.0 15.1 81.0 5.6 88.0 66.9 89.0 3.6 90.0 3.1 107.0 1.4 123.0 100.0 124.0 5.1 125.0 37.0 126.0 1.8 127.0 1.5
parameter in CDCl3
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1H NMR 300 MHz C3 H6 Cl N S 0.042 g : 0.5 ml CDCl3 dimethylthiocarbamoyl chloride 
Parameter ppm Hz
D(A) *1 3.521 D(B) *1 3.494
Hz ppm Int.1056.30 3.521 1000 1048.20 3.494 1000
in CDCl3
KBr disc
nujol mull
