2-Methyl-2-thiopseudourea sulfate(867-44-7) MS
Product Name2-Methyl-2-thiopseudourea sulfate
CAS867-44-7
Molecular FormulaC2H8N2O4S2
Molecular Weight188.23
InChIInChI=1S/C2H6N2S/c1-5-2(3)4/h1H3,(H3,3,4)
InChIKey SDDKIZNHOCEXTF-UHFFFAOYSA-N
SmilesC(=N)(N)SC
-
MassMS-NW-5458 2-methylisothiourea sulfate C2H6N2S 1/2H2O4S (Mass of molecular ion: 90)
Source Temperature: 190 °C Sample Temperature: 150 °C Direct, 75 eV
13.0 1.3 14.0 1.0 15.0 2.6 16.0 1.1 17.0 1.8 18.0 2.6 28.0 5.2 32.0 1.4 41.0 2.0 42.0 14.7 43.0 100.0 44.0 3.4 45.0 12.0 46.0 4.9 47.0 17.2 48.0 11.8 49.0 1.1 59.0 1.5 72.0 1.1 73.0 2.0 74.0 1.8 90.0 26.3 91.0 1.2 92.0 1.1
parameter in D2O
-
1H NMR 300 MHz C2 H6 N2 S 0.040 g : 0.5 ml D2O 2-methylisothiourea sulfate 
Parameter ppm Hz
D(A) 2.605
Hz ppm Int.781.50 2.605 1000
in D2O
KBr disc
nujol mull
