5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL(3414-94-6) IR2

Product Name5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL

CAS 3414-94-6

Molecular FormulaC8H7N3S

Molecular Weight177.23

InChIInChI=1S/C8H7N3S/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11,12)

InChIKey JRLMMJNORORYPO-UHFFFAOYSA-N

SmilesN1C(C2=CC=CC=C2)=NC(=S)N1

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IR1

IR2

Mass

MS-IW-4686          
5-phenyl-1H-1,2,4-triazole-3-thiol
C8H7N3S             (Mass of molecular ion:    177)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      39.0       2.0
      45.0       1.5
      50.0       2.6
      51.0       5.0
      52.0       1.1
      62.0       1.0
      63.0       2.9
      64.0       2.1
      74.0       7.3
      75.0       1.4
      76.0       4.5
      77.0      14.4
      78.0       1.3
      88.5       3.5
      89.0       2.0
      90.0       1.2
      91.0      13.7
      92.0       1.2
     103.0       8.3
     104.0      20.6
     105.0       3.4
     118.0      32.2
     119.0       9.9
     145.0       1.5
     176.0       1.3
     177.0     100.0
     178.0      11.3
     179.0       5.1

KBr disc

nujol mull

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