30682-81-6

4-METHYL-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLIN-3(2H)-THIONE(30682-81-6) IR1

Product Name4-METHYL-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLIN-3(2H)-THIONE

CAS 30682-81-6

Molecular FormulaC4H4F3N3S

Molecular Weight183.15

InChIInChI=1S/C4H4F3N3S/c1-10-2(4(5,6)7)8-9-3(10)11/h1H3,(H,9,11)

InChIKey HUZASKHMPBJXJP-UHFFFAOYSA-N

SmilesN1=C(C(F)(F)F)N(C)C(=S)N1

Request For Quotation

¹³CNMR

IR1

IR2

4-METHYL-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLIN-3(2H)-THIONE(30682-81-6) IR1
Mass

MS-NW-9013          
4-methyl-3-trifluoromethyl-delta(2)-1,2,4-triazoline-5-thione
C4H4F3N3S           (Mass of molecular ion:    183)

   Source Temperature: 170 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      28.0       1.8
      29.0       2.8
      30.0       1.2
      45.0       1.6
      55.0       3.7
      58.0       1.4
      59.0       2.0
      60.0      13.5
      69.0       6.0
      70.0       1.9
      72.0       1.1
      73.0       3.7
      74.0       2.2
      76.0       1.0
      91.5       2.0
     110.0       6.7
     118.0       1.1
     124.0       1.0
     125.0       2.2
     138.0       1.5
     153.0       1.2
     164.0       2.3
     182.0       1.7
     183.0     100.0
     184.0       8.9
     185.0       4.8

in CDCl3

KBr disc

nujol mull

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