1,1'-Thiobisethane(352-93-2) IR1
Product Name1,1'-Thiobisethane
CAS352-93-2
Molecular FormulaC4H10S
Molecular Weight90.19
InChIInChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3
InChIKey LJSQFQKUNVCTIA-UHFFFAOYSA-N
SmilesS(CC)CC
-
MassMS-NW-2557 diethyl sulfide C4H10S (Mass of molecular ion: 90)
Source Temperature: 290 °C Sample Temperature: 170 °C Reservoir, 75 eV
26.0 4.2 27.0 30.8 28.0 8.2 29.0 35.9 34.0 3.8 35.0 11.4 41.0 8.2 44.0 1.2 45.0 11.9 46.0 12.3 47.0 69.7 48.0 1.9 49.0 3.0 57.0 1.7 58.0 5.0 59.0 8.3 60.0 10.4 61.0 51.1 62.0 46.8 63.0 3.5 64.0 2.0 75.0 100.0 76.0 4.0 77.0 4.5 89.0 3.3 90.0 75.3 91.0 4.2 92.0 3.5
parameter in CDCl3
-
1H NMR 300 MHz C4 H10 S 11.0 mol% in CDCl3 diethyl sulfide 
Parameter ppm Hz
D(A) 1.256 D(B) 2.547 J(A,B) 7.40
Hz ppm Int.775.30 2.584 153 767.90 2.560 474 760.50 2.535 492 753.12 2.510 171 384.13 1.280 508 376.74 1.256 1000 369.34 1.231 469
in CDCl3
liquid film
