N-Aminorhodanine(1438-16-0) IR1
Product NameN-Aminorhodanine
CAS1438-16-0
Molecular FormulaC3H4N2OS2
Molecular Weight148.21
InChIInChI=1S/C3H4N2OS2/c4-5-2(6)1-8-3(5)7/h1,4H2
InChIKey ZBUUHLDYMKTVLT-UHFFFAOYSA-N
SmilesS1CC(=O)N(N)C1=S
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MassMS-NW-6464 3-amino-2-thioxo-4-thiazolidinone C3H4N2OS2 (Mass of molecular ion: 148)
Source Temperature: 130 °C Sample Temperature: 120 °C Direct, 75 eV
14.0 3.1 15.0 3.5 16.0 1.0 18.0 2.2 28.0 3.1 29.0 5.3 30.0 7.0 32.0 3.4 42.0 10.8 43.0 29.1 44.0 6.0 45.0 18.3 46.0 16.1 47.0 6.7 48.0 1.6 58.0 2.8 59.0 2.0 60.0 1.9 64.0 10.1 72.0 17.4 74.0 47.7 75.0 17.6 76.0 6.3 77.0 26.2 78.0 1.9 79.0 2.4 86.0 2.5 88.0 4.0 90.0 1.2 120.0 9.5 122.0 1.0 148.0 100.0 149.0 6.1 150.0 9.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C3 H4 N2 O S2 0.040 g : 0.5 ml DMSO-d6 3-amino-2-thioxo-4-thiazolidinone 
Assign. Shift(ppm)
A 5.70 B 4.211
Hz ppm Int.2280.03 5.706 26 1683.35 4.213 1000
in DMSO-d6
KBr disc
nujol mull
