Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C5H4N2OS/c8-5-6-3-1-9-2-4(3)7-5/h1-2H,(H2,6,7,8)
SMILES	O=c1[nH]c2c([nH]1)csc2
InChI Key	LIKMRBJSBUADIU-UHFFFAOYSA-N
Exact Mass	140.163 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LIKMRBJSBUADIU-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/LIKMRBJSBUADIU-UHFFFAOYSA-N/CHMO0000593
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	date : 2025-08-14 starting time : 14:18:11 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-25226 id : 355779 Solvent : DMSO temperature : 297.998959154793 K PULPROG : zg30 number of scans : 16 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
1986386	surechembl
54035172	pubchem
The data in this table is sourced from UniChem at EBI.