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2,2'-bis[4,5-Dihydro-5-(2-mercaptoethylimino)-4-methyl-1,3,4-thiadiazole]
SpectraBase Compound ID CLGKzC0YuOT
InChI InChI=1S/C10H16N6S4/c1-15-9(11-3-5-17)19-7(13-15)8-14-16(2)10(20-8)12-4-6-18/h17-18H,3-6H2,1-2H3/b11-9+,12-10+
InChIKey USGQBIOGOUNKBN-WGDLNXRISA-N
Mol Weight 348.5 g/mol
Molecular Formula C10H16N6S4
Exact Mass 348.031929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1uzKjuPfiXe
Name 2,2'-bis[4,5-Dihydro-5-(2-mercaptoethylimino)-4-methyl-1,3,4-thiadiazole]
Comments Computed using HOSE algorithm
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Exact Mass 348.031929235 u
Formula C10H16N6S4
InChI InChI=1S/C10H16N6S4/c1-15-9(11-3-5-17)19-7(13-15)8-14-16(2)10(20-8)12-4-6-18/h17-18H,3-6H2,1-2H3/b11-9+,12-10+
InChIKey USGQBIOGOUNKBN-WGDLNXRISA-N
Molecular Weight 348.520 g/mol
SMILES C=1(C=2S\C(=N\CCS)N(N2)C)S\C(=N\CCS)N(N1)C