2-Mercaptobenzothiazole(149-30-4) 1H NMR
Molecular FormulaC7H5NS2
Molecular Weight167.25
InChIInChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKey YXIWHUQXZSMYRE-UHFFFAOYSA-N
SmilesS1C2=CC=CC=C2NC1=S
-
Mass
MS-NW-2633
2-benzothiazolethiol
C7H5NS2 (Mass of molecular ion: 167)
Source Temperature: 200 °C
Sample Temperature: 130 °C
Direct, 75 eV
18.0 4.1
28.0 1.1
37.0 1.0
38.0 2.1
39.0 4.0
44.0 1.0
45.0 4.0
50.0 1.6
51.0 1.8
52.0 1.8
58.0 3.1
62.0 1.4
63.0 6.3
64.0 4.7
65.0 5.0
69.0 10.8
70.0 2.3
71.0 1.1
75.0 1.1
76.0 1.3
81.0 1.1
82.0 4.6
83.5 4.3
84.0 1.7
90.0 1.4
91.0 10.4
95.0 1.6
96.0 8.7
102.0 1.1
103.0 5.2
108.0 12.0
109.0 14.4
110.0 1.6
122.0 3.7
123.0 8.9
134.0 1.3
135.0 6.4
140.0 6.4
141.0 1.1
166.0 3.6
167.0 100.0
168.0 9.9
169.0 9.3