Product Name2,2'-Thiobispropane
CAS625-80-9
Molecular FormulaC6H14S
Molecular Weight118.24
InChIInChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3
InChIKey XYWDPYKBIRQXQS-UHFFFAOYSA-N
SmilesS(C(C)C)C(C)C
Mass
MS-NW-3309 diisopropyl sulfide C6H14S (Mass of molecular ion: 118)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.4 27.0 14.6 35.0 1.1 38.0 1.2 39.0 11.6 40.0 1.6 41.0 33.3 42.0 12.1 43.0 100.0 44.0 3.4 45.0 4.4 47.0 5.5 49.0 1.0 58.0 2.4 59.0 8.9 60.0 7.3 61.0 89.3 62.0 3.0 63.0 4.1 74.0 3.0 75.0 11.4 76.0 22.8 77.0 4.2 78.0 1.3 103.0 51.4 104.0 3.4 105.0 2.3 118.0 41.6 119.0 3.1 120.0 2.1
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C6 H14 S | 0.04 ml : 0.5 ml CDCl3 |
diisopropyl sulfide |
![]() |
Assign. Shift(ppm) |
Hz ppm Int.
280.75 3.135 24 273.94 3.059 54 267.25 2.985 72 260.56 2.910 62 254.00 2.837 31 115.94 1.295 1000 113.69 1.270 40 111.44 1.245 21 109.25 1.220 889 107.06 1.196 38
in CDCl3
liquid film
2,2'-Thiobispropane(625-80-9) Raman Atlas of Related Products