2-Amino-4-methylbenzothiazole(1477-42-5) MS
Product Name2-Amino-4-methylbenzothiazole
CAS1477-42-5
Molecular FormulaC8H8N2S
Molecular Weight164.23
InChIInChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3,(H2,9,10)
InChIKey GRIATXVEXOFBGO-UHFFFAOYSA-N
SmilesS1C2=CC=CC(C)=C2N=C1N
-
MassMS-NW-6340 2-amino-4-methylbenzothiazole C8H8N2S (Mass of molecular ion: 164)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.8 27.0 1.2 28.0 1.0 38.0 1.2 39.0 4.1 44.0 1.1 45.0 3.6 50.0 2.0 51.0 4.2 52.0 2.1 60.0 1.7 61.0 1.3 62.0 1.3 63.0 2.9 64.0 1.2 65.0 3.0 66.0 2.0 69.0 5.1 70.0 1.5 76.0 1.4 77.0 6.9 78.0 5.8 81.0 1.0 82.0 6.6 92.0 2.1 93.0 2.5 95.0 1.0 102.0 1.0 103.0 2.0 104.0 7.0 105.0 7.8 106.0 1.6 109.0 4.1 110.0 7.9 119.0 1.2 121.0 9.0 122.0 4.5 123.0 1.2 131.0 7.3 132.0 1.7 136.0 8.5 137.0 7.2 138.0 1.1 146.0 1.4 163.0 34.7 164.0 100.0 165.0 11.8 166.0 5.2
90 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H8 N2 S 0.047 g : 0.5 ml CDCl3 2-amino-4-methylbenzothiazole 
Assign. Shift(ppm)
A 7.38 B 7.07 C 7.02 D 6.34 E 2.503 J(A,C)=7.0HZ. J(A,B)=2.2HZ. J(A,E)=0.5HZ.
Hz ppm Int.666.88 7.447 58 666.38 7.441 59 665.31 7.429 31 664.69 7.422 66 663.94 7.414 65 663.19 7.405 25 659.94 7.369 92 659.56 7.365 90 657.69 7.344 103 657.13 7.338 102 638.50 7.130 41 637.75 7.121 39 633.31 7.072 158 632.81 7.066 174 631.56 7.052 417 630.38 7.039 130 624.75 6.976 156 617.38 6.894 43 567.50 6.337 106 224.13 2.503 1000
in CDCl3
KBr disc
nujol mull
