4,4'-Thiodibenzenethiol(19362-77-7) IR1
Product Name4,4'-Thiodibenzenethiol
CAS19362-77-7
Molecular FormulaC12H10S3
Molecular Weight250.4
InChIInChI=1S/C12H10S3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKey JLLMOYPIVVKFHY-UHFFFAOYSA-N
SmilesS(C1=CC=C(S)C=C1)C1=CC=C(S)C=C1
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MassMS-IW-4932 4,4'-thiodibenzenethiol C12H10S3 (Mass of molecular ion: 250)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
28.0 5.3 32.0 1.9 39.0 1.9 45.0 2.6 63.0 2.6 65.0 4.1 69.0 5.4 70.0 1.0 71.0 1.3 77.0 1.6 82.0 2.0 92.0 2.3 95.0 1.9 96.0 2.2 97.0 4.1 108.0 9.3 108.5 3.4 109.0 4.9 110.0 5.4 125.0 3.2 134.0 1.0 139.0 1.7 140.0 5.3 141.0 19.5 142.0 2.2 143.0 1.9 152.0 1.5 171.0 4.5 172.0 1.9 173.0 1.1 183.0 1.3 184.0 19.0 185.0 5.6 186.0 5.2 205.0 1.2 215.0 2.2 216.0 5.6 217.0 16.2 218.0 5.0 219.0 2.0 249.0 14.6 250.0 100.0 251.0 17.2 252.0 14.8 253.0 2.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H10 S3 0.038 g : 0.5 ml CDCl3 4,4'-thiodibenzenethiol 
Assign. Shift(ppm)
A 7.18 B 3.46
Hz ppm Int.2878.54 7.203 34 2877.32 7.200 29 2875.00 7.194 34 2872.68 7.188 58 2869.38 7.180 1000 2868.90 7.179 973 2865.48 7.170 44 2865.23 7.170 44 2863.16 7.165 34 2860.72 7.159 33 2859.74 7.156 38 1380.74 3.455 531
in CDCl3
KBr disc
nujol mull
