Ethylene thiourea(96-45-7) MS
Product NameEthylene thiourea
CAS96-45-7
Molecular FormulaC3H6N2S
Molecular Weight102.16
InChIInChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
InChIKey PDQAZBWRQCGBEV-UHFFFAOYSA-N
SmilesC1(=S)NCCN1
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MassMS-NW-1542 2-imidazolidinethione C3H6N2S (Mass of molecular ion: 102)
Source Temperature: 240 °C Sample Temperature: 160 °C Direct, 75 eV
15.0 2.4 18.0 1.7 27.0 1.8 28.0 11.3 29.0 1.7 30.0 39.6 32.0 1.4 40.0 1.9 41.0 4.6 42.0 9.8 43.0 10.9 44.0 1.5 45.0 11.0 46.0 3.7 47.0 1.8 51.0 2.0 59.0 2.3 60.0 2.8 70.0 1.4 72.0 8.6 73.0 14.0 74.0 5.2 75.0 1.2 101.0 3.0 102.0 100.0 103.0 5.1 104.0 4.6
parameter in DMSO-d6
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1H NMR 300 MHz C3 H6 N2 S 0.039 g : 0.5 ml DMSO-d6 2-imidazolidinethione 
Parameter ppm Hz
D(A) 7.94 D(B) 3.505
Hz ppm Int.2382.01 7.940 53 1051.50 3.505 1000
DMSO-d6
KBr disc
nujol mull
