1,1'-(Sulfonyldi-p-phenylene)bis[2-thiourea]

SpectraBase Compound ID	ElDPwCjEEjF
InChI	InChI=1S/C14H14N4O2S3/c15-13(21)17-9-1-5-11(6-2-9)23(19,20)12-7-3-10(4-8-12)18-14(16)22/h1-8H,(H3,15,17,21)(H3,16,18,22)
InChIKey	PXBHIQBZHGKHJQ-UHFFFAOYSA-N Google Search
Mol Weight	366.47 g/mol
Molecular Formula	C14H14N4O2S3
Exact Mass	366.027889 g/mol

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SpectraBase Spectrum ID	8I9MLQ0SBdP
Name	1,1'-(Sulfonyldi-p-phenylene)bis[2-thiourea]
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	366.027889227 u
Formula	C14H14N4O2S3
InChI	InChI=1S/C14H14N4O2S3/c15-13(21)17-9-1-5-11(6-2-9)23(19,20)12-7-3-10(4-8-12)18-14(16)22/h1-8H,(H3,15,17,21)(H3,16,18,22)
InChIKey	PXBHIQBZHGKHJQ-UHFFFAOYSA-N
Molecular Weight	366.472 g/mol
SMILES	N(C1=CC=C(S(C=2C=CC(=CC2)NC(N)=S)(=O)=O)C=C1)C(N)=S
Spectrum/Structure Validation Score (Raman)	0.819032