5437-25-2

2,6-Dithiopurine(5437-25-2) IR1

Product Name2,6-Dithiopurine

CAS 5437-25-2

Molecular FormulaC5H4N4S2

Molecular Weight184.24

InChIInChI=1S/C5H4N4S2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)

InChIKey VQPMXSMUUILNFZ-UHFFFAOYSA-N

SmilesN1C2=C(NC(=S)NC2=S)NC=1

Request For Quotation

¹HNMR

IR1

IR2

2,6-Dithiopurine(5437-25-2) IR1
Mass

MS-IW-9447          
2,6-purinedithiol
C5H4N4S2            (Mass of molecular ion:    184)

   Source Temperature: 180 °C
   Sample Temperature: 250 °C
   Direct, 75 eV

      18.0       3.7
      26.0       2.5
      27.0      18.5
      28.0      33.0
      32.0       6.9
      33.0       3.8
      34.0       8.4
      38.0       4.1
      39.0       2.4
      40.0       1.2
      43.0       1.6
      44.0      10.9
      45.0       9.9
      46.0       1.4
      52.0       1.3
      53.0       8.4
      54.0       6.7
      55.0       1.2
      56.0       1.1
      57.0       1.6
      58.0       1.8
      59.0       5.0
      60.0       4.8
      64.0       3.7
      65.0       2.1
      66.0       3.9
      67.0       1.5
      68.0       1.0
      70.0      16.3
      71.0      23.5
      72.0       5.2
      73.0       1.9
      76.0       5.9
      80.0       2.4
      81.0       4.9
      82.0       2.0
      83.0       3.7
      84.0       3.7
      85.0       4.9
      91.0       1.6
      92.0       5.6
      93.0       3.1
      96.0       1.1
      97.0       7.4
      98.0      11.2
      99.0       3.8
     102.0       7.8
     103.0       1.8
     108.0       3.0
     109.0       2.0
     118.0       1.8
     123.0       4.3
     124.0       5.7
     125.0      16.7
     126.0      38.2
     127.0       3.1
     128.0       1.8
     129.0       1.2
     150.0       9.4
     151.0      34.2
     152.0       3.9
     153.0       1.6
     156.0       4.3
     157.0       1.4
     167.0       1.3
     168.0       1.9
     183.0       2.0
     184.0     100.0
     185.0       9.0
     186.0       9.8