Dataset
![molecular Image]()
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Information
| InChI | InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) |
|---|---|
| SMILES | OC(=O)c1cscc1 |
| InChI Key | YNVOMSDITJMNET-UHFFFAOYSA-N |
| Molecular Formula | C5H4O2S |
| Exact Mass | 128.149 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/YNVOMSDITJMNET-UHFFFAOYSA-N/CHMO0001148 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/YNVOMSDITJMNET-UHFFFAOYSA-N/CHMO0001148 |
| Version | |
| Author | Peter Bäuerle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2025-12-11 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | 1H–13C heteronuclear multiple bond coherence |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL164585 | ChEMBL |
| DTXSID40236745 | EPA CompTox Dashboard |
| ZINC000000158755 | ZINC |
| 50074328 | BindingDB |
| 249726 | Brenda |
| THIPAC | CCDC |
| J4.287K | Nikkaji |
| TX0 | PDBe |
| 259278 | Brenda |
| 15321336 | PubChem: Thomson Pharma |
| 88-13-1 | ACToR |
| 6V3012Q6BE | FDA SRS |
| 491595 | eMolecules |
| CB6141040 | ChemicalBook |
| 97229 | Brenda |
| 20208214 | NMRShiftDB |
| SCHEMBL152166 | SureChEMBL |
| 6918 | PubChem |
| MCULE-7934636767 | Mcule |
| The data in this table is sourced from UniChem at EBI. | |