Product NameTHIODIGLYCOLIC ACID
CAS505-73-7
Molecular FormulaC4H6O4S2
Molecular Weight182.22
InChIInChI=1S/C4H6O4S2/c5-3(6)1-9-10-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey DLLMHEDYJQACRM-UHFFFAOYSA-N
SmilesS(CC(O)=O)SCC(O)=O
Mass
MS-NW-5423 dithiodiacetic acid C4H6O4S2 (Mass of molecular ion: 182)
Source Temperature: 150 °C Sample Temperature: 130 °C Direct, 75 eV
13.0 1.8 14.0 7.7 15.0 2.6 17.0 1.6 18.0 5.0 28.0 7.8 29.0 9.3 31.0 15.2 32.0 5.4 33.0 3.5 34.0 2.7 41.0 2.9 42.0 26.1 43.0 16.8 44.0 16.3 45.0 99.3 46.0 89.8 47.0 85.8 48.0 9.1 49.0 4.4 59.0 4.3 60.0 15.9 61.0 1.4 63.0 7.6 64.0 13.6 65.0 1.5 66.0 1.8 73.0 1.1 74.0 24.1 75.0 12.1 76.0 7.8 77.0 3.9 78.0 17.1 79.0 82.0 80.0 4.0 81.0 20.0 82.0 1.2 83.0 1.5 87.0 1.2 90.0 12.6 91.0 8.1 92.0 66.6 93.0 22.2 94.0 4.8 95.0 15.8 97.0 1.5 103.0 1.5 105.0 8.6 106.0 6.7 107.0 5.7 109.0 31.5 110.0 1.3 111.0 2.8 119.0 20.8 120.0 3.6 121.0 2.4 122.0 2.2 123.0 6.9 124.0 1.1 136.0 1.5 137.0 15.6 138.0 5.1 139.0 1.9 164.0 33.5 165.0 2.7 166.0 3.4 182.0 100.0 183.0 6.4 184.0 10.3
parameter in DMSO-d6
1H NMR | 300 MHz |
C4 H6 O4 S2 | 0.05 ml : 0.5 ml DMSO-d6 |
dithiodiacetic acid |
![]() |
Parameter ppm Hz |
Hz ppm Int.
1088.10 3.627 1000
in D2O
in DMSO-d6
KBr disc
nujol mull
THIODIGLYCOLIC ACID(505-73-7) IR2 Atlas of Related Products