Dataset
![molecular Image]()
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
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/CHMO0001146 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/YNVOMSDITJMNET-UHFFFAOYSA-N/CHMO0001146 |
| Version | |
| Author | Peter Bäuerle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2025-12-11 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | 1H–13C heteronuclear single quantum coherence |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| TX0 | rcsb_pdb |
| CHEMBL164585 | chembl |
| 152166 | surechembl |
| 6918 | pubchem |
| 6V3012Q6BE | fdasrs |
| PD218448 | probes_and_drugs |
| THIPAC | CCDC |
| 249726 | brenda |
| 259278 | brenda |
| 97229 | brenda |
| 51046777 | bindingdb |
| 51046790 | bindingdb |
| 51046813 | bindingdb |
| 51046827 | bindingdb |
| 51046841 | bindingdb |
| 51141129 | bindingdb |
| 51153344 | bindingdb |
| 51153355 | bindingdb |
| Molport-000-142-469 | molport |
| The data in this table is sourced from UniChem at EBI. | |