Dataset
![molecular Image]()
infrared absorption spectroscopy (IR)
Chemical Info
| InChI | InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4) |
|---|---|
| SMILES | NC(=S)N |
| InChI Key | UMGDCJDMYOKAJW-UHFFFAOYSA-N |
| Molecular Formula | CH4N2S |
| Exact Mass | 76.121 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/UMGDCJDMYOKAJW-UHFFFAOYSA-N/IR |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/UMGDCJDMYOKAJW-UHFFFAOYSA-N/IR |
| Version | |
| Author | Yu-Chieh Huang |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T01:27:05.334005 |
| MetadataModified | 2024-09-07T15:37:45.640098 |
| MetadataPublished | 2019-06-27 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | infrared absorption spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| C14415 | KEGG Ligand |
| TOU | PDBe |
| CHEMBL260876 | ChEMBL |
| DTXSID9021348 | EPA CompTox Dashboard |
| 50229993 | BindingDB |
| THIOUR | CCDC |
| J2.351E | Nikkaji |
| 2723790 | PubChem |
| PD098596 | ProbesDrugs |
| GYV9AM2QAG | FDA SRS |
| 15170359 | PubChem: Thomson Pharma |
| 62-56-6 | ACToR |
| 49757154 | PubChem: Thomson Pharma |
| 17370-85-3 | ACToR |
| 484431 | eMolecules |
| 36946 | ChEBI |
| MCULE-5046264236 | Mcule |
| SCHEMBL1008 | SureChEMBL |
| HMDB0034155 | Human Metabolome Database |
| CB9854008 | ChemicalBook |
| ZINC000008437745 | ZINC |
| 844 | Brenda |
| The data in this table is sourced from UniChem at EBI. | |