Bis(2-mercaptoethyl) sulfide(3570-55-6) MS
Product NameBis(2-mercaptoethyl) sulfide
CAS3570-55-6
Molecular FormulaC4H10S3
Molecular Weight154.32
InChIInChI=1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChIKey KSJBMDCFYZKAFH-UHFFFAOYSA-N
SmilesS(CCS)CCS
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MassMS-IW-6260 2,2'-thiodiethanethiol C4H10S3 (Mass of molecular ion: 154)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.2 27.0 8.9 28.0 2.7 32.0 1.4 33.0 1.5 34.0 4.0 35.0 8.0 44.0 1.3 45.0 14.2 46.0 4.4 47.0 10.2 57.0 1.6 58.0 6.1 59.0 19.5 60.0 31.7 61.0 100.0 62.0 5.3 63.0 6.0 64.0 2.6 65.0 1.6 73.0 1.1 78.0 1.3 79.0 1.5 87.0 1.7 91.0 1.0 92.0 2.3 93.0 2.4 94.0 55.1 95.0 3.7 96.0 5.0 97.0 1.1 105.0 2.0 106.0 1.6 107.0 11.2 109.0 1.0 120.0 21.6 121.0 1.9 122.0 2.0 152.0 2.0 154.0 24.1 155.0 1.8 156.0 3.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H10 S3 0.05 ml : 0.5 ml CDCl3 2,2'-thiodiethanethiol 
Assign. Shift(ppm)
A 2.78 B 2.73 C 1.711 CONFIRMED BY C-H COSY
Hz ppm Int.1122.31 2.809 229 1121.83 2.808 274 1119.38 2.801 374 1117.31 2.796 251 1115.60 2.792 353 1113.65 2.787 818 1110.96 2.780 851 1107.54 2.772 846 1106.93 2.770 914 1106.32 2.769 966 1105.59 2.767 838 1101.32 2.756 803 1100.22 2.753 697 1096.80 2.745 564 1095.09 2.741 498 1094.12 2.738 962 1092.77 2.735 673 1090.33 2.729 269 1088.62 2.724 677 1086.55 2.719 480 1086.06 2.718 557 1085.21 2.716 308 1084.11 2.713 346 1080.32 2.704 297 1078.00 2.698 252 715.21 1.790 556 712.89 1.784 52 707.40 1.771 1000 700.68 1.754 243 699.95 1.752 298 699.34 1.750 433 696.53 1.743 41
in CDCl3
liquid film
