N,N'-DIMETHYLTHIOUREA(534-13-4) IR2
Product NameN,N'-DIMETHYLTHIOUREA
CAS534-13-4
Molecular FormulaC3H8N2S
Molecular Weight104.17
InChIInChI=1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
InChIKey VLCDUOXHFNUCKK-UHFFFAOYSA-N
SmilesN(C)C(NC)=S
-
MassMS-NW-8085 1,3-dimethylthiourea C3H8N2S (Mass of molecular ion: 104)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 7.2 28.0 11.2 29.0 1.9 30.0 65.3 31.0 4.3 32.0 3.0 40.0 1.1 41.0 1.4 42.0 12.8 44.0 3.2 45.0 4.7 46.0 1.8 47.0 6.3 51.0 1.0 55.0 2.1 57.0 7.5 59.0 4.3 60.0 11.7 62.0 2.7 69.0 1.3 70.0 1.6 71.0 20.0 72.0 4.1 73.0 4.3 74.0 38.0 75.0 5.1 76.0 2.2 104.0 100.0 105.0 9.0 106.0 4.7
parameter in CDCl3
-
1H NMR 300 MHz C3 H8 N2 S 0.042 g : 0.5 ml CDCl3 1,3-dimethylthiourea 
Parameter ppm Hz
D(A) 6.50 D(B) 3.019 J(A,B) 4.75
Hz ppm Int.1952.40 6.508 991 1947.65 6.492 1000 908.07 3.027 1000 903.36 3.011 991
in CDCl3
KBr disc
nujol mull
