4,4'-DIMETHYLTHIOCARBANILIDE(621-01-2) IR2
Product Name4,4'-DIMETHYLTHIOCARBANILIDE
CAS621-01-2
Molecular FormulaC15H16N2S
Molecular Weight256.37
InChIInChI=1S/C15H16N2S/c1-11-3-7-13(8-4-11)16-15(18)17-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,16,17,18)
InChIKey ULNVBRUIKLYGDF-UHFFFAOYSA-N
SmilesN(C1=CC=C(C)C=C1)C(NC1=CC=C(C)C=C1)=S
-
MassMS-NW-0214 1,3-di(p-tolyl)-2-thiourea C15H16N2S (Mass of molecular ion: 256)
Source Temperature: 200 °C Sample Temperature: 0 °C Direct, 75 eV
18.0 1.8 27.0 2.6 28.0 1.6 38.0 1.3 39.0 8.7 41.0 2.7 45.0 2.0 50.0 3.0 51.0 6.1 52.0 3.3 53.0 3.2 54.0 1.0 62.0 1.6 63.0 5.8 64.0 2.0 65.0 15.1 66.0 1.5 74.5 1.3 75.0 1.0 76.0 1.0 77.0 11.5 78.0 4.4 79.0 8.0 80.0 1.9 89.0 5.7 90.0 3.4 91.0 35.9 92.0 4.1 104.0 3.4 105.0 1.9 106.0 60.5 107.0 100.0 108.0 8.0 116.0 1.9 117.0 1.9 121.0 2.2 123.0 4.1 124.0 8.6 125.0 1.0 126.0 1.0 127.0 3.2 128.0 2.7 131.0 1.6 132.0 4.8 133.0 4.9 148.0 10.3 149.0 25.0 150.0 9.2 151.0 1.9 221.0 3.6 222.0 13.3 223.0 6.7 224.0 1.1 239.0 1.0 255.0 4.3 256.0 35.0 257.0 6.8 258.0 2.2
90 MHz in DMSO-d6
400 MHz in DMSO-d6
-
1H NMR 89.56 MHz C15 H16 N2 S 0.036 g : 0.5 ml DMSO-d6 1,3-di(p-tolyl)-2-thiourea 
Assign. Shift(ppm)
A 9.57 B 7.327 C 7.131 D 2.274 J(B,C)=8.5HZ
Hz ppm Int.857.44 9.574 201 662.13 7.394 223 653.69 7.299 502 641.56 7.164 430 632.94 7.068 200 203.75 2.276 1000
-
1H NMR 399.65 MHz C15 H16 N2 S 0.039 g : 0.5 ml DMSO-d6 1,3-di(p-tolyl)-2-thiourea Assign. Shift(ppm)
A 9.62 B 7.343 C 7.124 D 2.270
Hz ppm Int.3843.69 9.618 260 2939.45 7.356 347 2931.06 7.335 414 2850.95 7.134 369 2842.56 7.113 307 907.29 2.271 1000
KBr disc
nujol mull
