1-PHENYL-2-THIOUREA(103-85-5) IR1
Product Name1-PHENYL-2-THIOUREA
CAS103-85-5
Molecular FormulaC7H8N2S
Molecular Weight152.22
InChIInChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKey FULZLIGZKMKICU-UHFFFAOYSA-N
SmilesN(C1=CC=CC=C1)C(N)=S
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MassMS-NW-0192 1-phenylthiourea C7H8N2S (Mass of molecular ion: 152)
Source Temperature: 210 °C Sample Temperature: 0 °C Direct, 75 eV
26.0 1.3 27.0 3.2 28.0 9.3 32.0 2.3 33.0 1.4 37.0 2.9 38.0 7.2 39.0 22.0 40.0 3.9 41.0 2.9 42.0 1.3 43.0 7.3 45.0 1.4 50.0 9.1 51.0 20.6 52.0 5.2 53.0 1.3 54.0 2.2 59.0 3.0 60.0 25.2 61.0 2.0 62.0 3.0 63.0 8.0 64.0 5.3 65.0 24.7 66.0 29.5 67.0 3.5 69.0 1.3 73.0 1.3 74.0 3.1 75.0 3.0 76.0 4.0 77.0 25.1 78.0 3.9 80.0 1.5 90.0 1.1 91.0 4.4 92.0 12.3 93.0 100.0 94.0 7.2 97.0 1.0 104.0 2.2 109.0 5.2 110.0 21.7 111.0 1.8 112.0 1.1 118.0 3.8 119.0 17.2 120.0 1.8 124.0 2.2 135.0 2.4 136.0 1.1 151.0 6.4 152.0 61.9 153.0 6.2 154.0 3.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H8 N2 S 0.040 g : 0.5 ml DMSO-d6 1-phenylthiourea 
Assign. Shift(ppm)
A 9.70 B 7.402 C 7.329 D 7.122
Hz ppm Int.3878.33 9.705 580 2962.95 7.414 580 2955.32 7.395 896 2936.25 7.348 823 2934.11 7.342 274 2928.77 7.329 1000 2922.21 7.312 263 2920.38 7.308 558 2854.16 7.142 214 2852.94 7.139 348 2851.72 7.136 214 2845.61 7.121 549 2838.29 7.102 249
KBr disc
nujol mull
