2,2'-DITHIOBIS(5-NITROPYRIDINE)(2127-10-8) IR1

Product Name2,2'-DITHIOBIS(5-NITROPYRIDINE)

CAS 2127-10-8

Molecular FormulaC10H6N4O4S2

Molecular Weight310.31

InChIInChI=1S/C10H6N4O4S2/c15-13(16)7-1-3-9(11-5-7)19-20-10-4-2-8(6-12-10)14(17)18/h1-6H

InChIKey ROUFCTKIILEETD-UHFFFAOYSA-N

SmilesS(C1=NC=C([N+]([O-])=O)C=C1)SC1=NC=C([N+]([O-])=O)C=C1

Request For Quotation

Mass

MS-NW-6936          
2,2'-dithiobis(5-nitropyridine)
C10H6N4O4S2         (Mass of molecular ion:    310)

   Source Temperature: 200 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       1.4
      18.0       6.3
      28.0       1.4
      29.0       1.3
      30.0       7.0
      37.0       1.2
      38.0       5.6
      39.0       3.7
      40.0       4.0
      44.0       1.1
      45.0       5.8
      46.0       5.8
      50.0       5.7
      51.0       4.8
      52.0       3.5
      57.0       2.0
      58.0       1.1
      64.0       5.4
      65.0       2.2
      69.0       4.5
      70.0       4.2
      71.0       1.3
      76.0       2.2
      77.0       7.7
      78.0       1.6
      80.0       1.2
      81.0       4.0
      82.0      14.9
      83.0       5.5
      84.0       1.2
      96.0       2.1
      97.0       1.2
      98.0       2.3
     108.0       1.8
     109.0       4.1
     110.0       3.7
     112.0       2.1
     123.0      19.2
     124.0       1.7
     141.0       6.5
     142.0       1.4
     154.0       6.5
     155.0       1.8
     156.0       7.2
     157.0       1.2
     158.0       1.3
     170.0      14.9
     171.0       2.0
     185.0       1.4
     186.0       1.2
     187.0      10.7
     188.0       1.1
     189.0       1.2
     191.0       1.5
     200.0      11.0
     201.0       1.6
     217.0       1.3
     218.0       3.8
     220.0       1.0
     231.0       4.4
     232.0       1.7
     246.0       1.0
     264.0       2.9
     277.0       6.1
     278.0       2.9
     310.0     100.0
     311.0      14.5
     312.0      11.2
     313.0       1.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₆ N₄ O₄ S₂	0.037 g : 0.5 ml DMSO-d₆
2,2'-dithiobis(5-nitropyridine)

    Assign.     Shift(ppm)

      A             9.289
      B             8.564
      C             7.929

     Hz     ppm     Int.

   3714.29   9.294    942
   3713.68   9.293    943
   3711.55   9.288   1000
   3710.94   9.286    889
   3428.80   8.580    731
   3426.21   8.574    681
   3419.95   8.558    774
   3417.21   8.551    754
   3173.37   7.941    965
   3172.76   7.939    895
   3168.49   7.929     36
   3164.52   7.919    900
   3163.91   7.917    841

KBr disc