Thioflavine T(2390-54-7) IR2

Product NameThioflavine T

CAS 2390-54-7

Molecular FormulaC17H19ClN2S

Molecular Weight318.86

InChIInChI=1S/C17H19N2S.ClH/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;/h5-11H,1-4H3;1H/q+1;/p-1

InChIKey JADVWWSKYZXRGX-UHFFFAOYSA-M

SmilesC1(=[N+](C)C2C=CC(C)=CC=2S1)C1C=CC(N(C)C)=CC=1.[Cl-]

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IR1

IR2

Raman

Mass

MS-NW-1826          
thioflavin T
C17H19ClN2S         (Mass of molecular ion:    318)

   Source Temperature: 240 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      15.0       3.5
      39.0       1.3
      42.0       2.1
      45.0       1.8
      50.0      10.3
      51.0       1.6
      52.0       3.3
      63.0       1.5
      69.0       1.7
      77.0       4.0
      78.0       2.9
      89.0       1.0
     102.0       1.1
     111.5       2.9
     121.0       6.9
     122.0       3.0
     123.0       1.7
     125.0       2.3
     125.5       1.0
     126.0       1.5
     129.0       1.0
     133.0      11.9
     133.5       8.7
     134.0       9.8
     134.5       2.0
     145.0       2.2
     209.0       2.7
     222.0       1.1
     223.0       1.4
     224.0       5.2
     225.0       2.5
     226.0       1.8
     251.0       5.4
     252.0      11.7
     253.0       7.6
     254.0       3.8
     266.0       1.2
     267.0      42.0
     268.0     100.0
     269.0      20.4
     270.0       6.1

KBr disc