1004-76-8

2-Mercapto-4-hydroxy-5,6-diaminopyrimidine(1004-76-8) IR1

Product Name2-Mercapto-4-hydroxy-5,6-diaminopyrimidine

CAS 1004-76-8

Molecular FormulaC4H6N4OS

Molecular Weight158.18

InChIInChI=1S/C4H6N4OS/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)

InChIKey QYSWOQHLIDKEOL-UHFFFAOYSA-N

SmilesC1(=S)NC(N)=C(N)C(=O)N1

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IR1

IR2

Raman

2-Mercapto-4-hydroxy-5,6-diaminopyrimidine(1004-76-8) IR1
Mass

MS-NW-6475          
5,6-diamino-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
C4H6N4OS            (Mass of molecular ion:    158)

   Source Temperature: 220 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      17.0       2.2
      18.0      11.6
      27.0       3.3
      28.0      21.8
      29.0       5.3
      32.0       1.9
      42.0       3.0
      43.0      31.8
      44.0      31.6
      45.0       4.0
      53.0       3.6
      54.0       3.5
      55.0       4.9
      56.0       3.0
      57.0       1.0
      58.0       1.2
      59.0       4.6
      60.0       7.5
      61.0       2.4
      68.0       1.9
      69.0       1.6
      70.0       4.9
      71.0      16.5
      72.0       6.3
      76.0       1.2
      85.0       2.7
      86.0       6.2
      87.0       1.0
      98.0       1.8
      99.0       1.1
     100.0      18.8
     113.0       7.4
     115.0       1.1
     141.0      10.1
     142.0       1.9
     143.0       3.4
     156.0       1.8
     157.0       1.2
     158.0     100.0
     159.0       7.1
     160.0       5.3

KBr disc