14901-16-7

苯基-3-(2-噻唑基)-2-硫脲(14901-16-7)质谱(MS)

产品名称:苯基-3-(2-噻唑基)-2-硫脲

CAS:14901-16-7

分子式:C10H9N3S2

分子量: 235.33

InChI:InChI=1S/C10H9N3S2/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)

InChIKey: GCZZOZBWAZHCAN-UHFFFAOYSA-N

Smiles:N(C1=CC=CC=C1)C(NC1=NC=CS1)=S

Mass

MS-NW-6728          
N-phenyl-N'-(2-thiazolyl)thiourea
C10H9N3S2           (Mass of molecular ion:    235)

   Source Temperature: 200 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       1.2
      26.0       2.1
      27.0       3.1
      28.0       5.8
      32.0       7.4
      33.0       5.3
      34.0      14.1
      37.0       2.4
      38.0       5.3
      39.0      12.7
      40.0       4.5
      41.0       3.1
      42.0       1.0
      44.0       3.7
      45.0      12.2
      46.0       3.3
      46.5       2.6
      50.0       7.7
      51.0      24.5
      52.0       5.1
      53.0       2.2
      54.0       2.3
      55.0       2.9
      57.0       9.9
      58.0     100.0
      59.0       6.9
      60.0       5.4
      61.0       1.3
      62.0       2.1
      63.0       5.1
      64.0       4.1
      65.0      14.2
      66.0      18.8
      67.0       2.6
      70.0       5.1
      71.0       2.2
      72.0       1.3
      73.0       7.5
      74.0       2.7
      75.0       2.4
      76.0       5.8
      77.0      41.3
      78.0       4.7
      80.0       1.2
      83.0       1.5
      84.0       3.0
      85.0      11.1
      90.0       1.4
      91.0       2.7
      92.0       6.8
      93.0      70.0
      94.0       5.1
      98.0       1.4
      99.0       1.0
     100.0      84.9
     100.5       1.5
     101.0       4.9
     102.0       4.5
     103.0       6.2
     104.0       3.4
     109.0       5.1
     111.0       1.3
     116.0       1.1
     117.5       1.4
     118.0       3.9
     119.0       1.2
     124.0       1.0
     126.0       1.1
     129.0       2.6
     135.0       9.2
     136.0       6.7
     137.0       1.0
     142.0      50.8
     143.0       8.7
     144.0       7.3
     145.0       1.0
     161.0       1.0
     174.0       1.7
     175.0       2.8
     200.0       3.4
     201.0      72.8
     202.0      11.8
     203.0       4.8
     235.0      21.4
     236.0       3.1
     237.0       2.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₉ N₃ S₂	0.040 g : 0.5 ml DMSO-d₆
N-phenyl-N'-(2-thiazolyl)thiourea

    Assign.     Shift(ppm)

      A     *1     12.5
      B     *1     10.5
      C             7.721
      D             7.461
      E             7.329
      F             7.096
      G             7.010

     Hz     ppm     Int.

   4984.69  12.473     35
   4183.70  10.469     25
   3099.36   7.756     25
   3090.02   7.732    696
   3082.33   7.713    740
   2990.01   7.482     28
   2989.64   7.481     29
   2984.15   7.467    980
   2979.94   7.457   1000
   2937.07   7.350    446
   2929.38   7.330    736
   2921.32   7.310    455
   2843.11   7.115    177
   2835.78   7.096    273
   2828.46   7.078    129
   2813.07   7.039     23
   2811.79   7.036     29
   2811.24   7.035     32
   2803.91   7.016    345
   2799.88   7.006    319

in DMSO-d6