4,5-BIS(BENZOYLTHIO)-1,3-DITHIOLE-2-THIONE(68494-08-6) IR1

Product Name4,5-BIS(BENZOYLTHIO)-1,3-DITHIOLE-2-THIONE

CAS 68494-08-6

Molecular FormulaC17H10O2S5

Molecular Weight406.59

InChIInChI=1S/C17H10O2S5/c18-13(11-7-3-1-4-8-11)21-15-16(24-17(20)23-15)22-14(19)12-9-5-2-6-10-12/h1-10H

InChIKey YQZPSSPUVUGQQS-UHFFFAOYSA-N

SmilesC1(SC(=S)SC=1SC(=O)C1C=CC=CC=1)SC(=O)C1C=CC=CC=1

Request For Quotation

¹HNMR

IR1

IR2

Mass

MS-NW-7003          
4,5-bis(benzoylthio)-1,3-dithiole-2-thione
C17H10O2S5          (Mass of molecular ion:    406)

   Source Temperature: 200 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       1.4
      18.0       5.6
      50.0       2.1
      51.0       8.2
      76.0       3.8
      77.0      32.7
      78.0       2.5
     105.0     100.0
     106.0       8.4
     406.0       4.3
     407.0       1.0
     408.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₇ H₁₀ O₂ S₅	0.040 g : 0.5 ml CDCl₃
4,5-bis(benzoylthio)-1,3-dithiole-2-thione

    Assign.     Shift(ppm)

      A             7.94
      B             7.67
      C             7.51

     Hz     ppm     Int.

    718.88   8.027     87
    716.31   7.999    540
    714.88   7.983    665
    713.13   7.963    349
    710.63   7.935    289
    708.50   7.911    880
    706.63   7.891    893
    701.88   7.837     64
    695.94   7.771     83
    694.38   7.754    134
    692.81   7.736    116
    691.25   7.719     97
    690.06   7.706     63
    689.63   7.701     70
    686.81   7.669    375
    684.13   7.639    196
    682.00   7.616    424
    680.31   7.597    690
    678.06   7.572    892
    677.38   7.564   1000
    675.94   7.548    442
    672.75   7.512    361
    671.63   7.500    393
    670.19   7.484    776
    668.00   7.459    205
    666.38   7.441    116
    665.31   7.429    170
    663.75   7.412    250
    661.38   7.385    185

KBr disc