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4,5-bis[(p-Tolylsulfonyl)methyl]-1,3-dimethyl-2-imidazolidinethione

View entire compound with spectra: 2 NMR, and 1 FTIR

4,5-bis[(p-Tolylsulfonyl)methyl]-1,3-dimethyl-2-imidazolidinethione
SpectraBase Compound ID If1icztEuhT
InChI InChI=1S/C23H30N2O4S3/c1-5-24-21(15-31(26,27)19-11-7-17(3)8-12-19)22(25(6-2)23(24)30)16-32(28,29)20-13-9-18(4)10-14-20/h7-14,21-22H,5-6,15-16H2,1-4H3
InChIKey CHAXWNFRQLZRQC-UHFFFAOYSA-N
Mol Weight 494.68 g/mol
Molecular Formula C23H30N2O4S3
Exact Mass 494.136771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID wip0JGVEuG
Name 4,5-bis[(p-Tolylsulfonyl)methyl]-1,3-dimethyl-2-imidazolidinethione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.136770972 u
Formula C23H30N2O4S3
InChI InChI=1S/C23H30N2O4S3/c1-5-24-21(15-31(26,27)19-11-7-17(3)8-12-19)22(25(6-2)23(24)30)16-32(28,29)20-13-9-18(4)10-14-20/h7-14,21-22H,5-6,15-16H2,1-4H3
InChIKey CHAXWNFRQLZRQC-UHFFFAOYSA-N
Molecular Weight 494.683 g/mol
SMILES C=1C(=CC=C(C1)C)S(=O)(=O)CC1C(N(C(N1CC)=S)CC)CS(=O)(=O)C=1C=CC(=CC1)C