Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

InChI	InChI=1S/C5H4N2S2/c8-5-6-3-1-9-2-4(3)7-5/h1-2H,(H2,6,7,8)
SMILES	S=c1[nH]c2c([nH]1)csc2
InChI Key	JITVQETUYJVBKJ-UHFFFAOYSA-N
Exact Mass	156.229 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JITVQETUYJVBKJ-UHFFFAOYSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/JITVQETUYJVBKJ-UHFFFAOYSA-N/CHMO0001148
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear multiple bond coherence
Measurement Variables	date : 2025-08-16 starting time : 03:09:03 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-26256 id : 355173 Solvent : DMSO temperature : 297.995785261992 K PULPROG : hmbcgpndqf number of scans : 8 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
SCHEMBL4291660	SureChEMBL
DTXSID40521380	EPA CompTox Dashboard
13142887	PubChem
The data in this table is sourced from UniChem at EBI.