2-Mercaptothiazoline(96-53-7) 13C NMR
Product Name2-Mercaptothiazoline
CAS96-53-7
Molecular FormulaC3H5NS2
Molecular Weight119.21
InChIInChI=1S/C3H5NS2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)
InChIKey WGJCBBASTRWVJL-UHFFFAOYSA-N
SmilesS1CCNC1=S
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MassMS-NW-4986 4,5-dihydro-2-thiazolethiol C3H5NS2 (Mass of molecular ion: 119)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 5.8 26.0 2.5 27.0 10.7 28.0 13.9 29.0 1.1 30.0 1.1 32.0 4.1 33.0 1.0 34.0 1.2 35.0 2.8 40.0 1.0 41.0 2.3 42.0 6.5 43.0 1.3 44.0 2.2 45.0 25.8 46.0 5.2 47.0 12.2 57.0 1.2 58.0 5.5 59.0 30.0 59.5 1.1 60.0 28.7 61.0 21.3 62.0 1.7 64.0 8.2 72.0 12.6 73.0 9.3 74.0 1.1 76.0 3.7 77.0 2.1 90.0 1.6 91.0 1.6 119.0 100.0 120.0 6.2 121.0 8.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C3 H5 N S2 0.041 g : 0.5 ml CDCl3 4,5-dihydro-2-thiazolethiol 
Assign. Shift(ppm)
A 8.3 B 4.04 C 3.595
Hz ppm Int.739.69 8.260 71 371.25 4.146 254 369.94 4.131 275 367.13 4.100 99 362.94 4.053 739 358.81 4.007 145 355.38 3.969 697 350.69 3.916 77 349.81 3.906 64 349.25 3.900 59 348.56 3.892 55 329.06 3.675 740 328.19 3.665 770 325.44 3.634 124 325.13 3.631 124 322.31 3.599 752 321.06 3.585 1000 319.94 3.573 520 316.13 3.530 121 314.06 3.507 427 312.44 3.489 377 309.81 3.460 71 308.81 3.449 57
in CDCl3
KBr disc
nujol mull
