GQA
1-methyl-3-oxidanyl-pyridine-2-thione
| Created: | 2018-05-31 |
| Last modified: | 2018-12-19 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 16 |
| Chiral Atom Count | 0 |
| Bond Count | 16 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | 1-methyl-3-oxidanyl-pyridine-2-thione |
| Systematic Name (OpenEye OEToolkits) | 1-methyl-3-oxidanyl-pyridine-2-thione |
| Formula | C6 H7 N O S |
| Molecular Weight | 141.191 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | CN1C=CC=C(O)C1=S |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1C=CC=C(C1=S)O |
| Canonical SMILES | CACTVS | 3.385 | CN1C=CC=C(O)C1=S |
| Canonical SMILES | OpenEye OEToolkits | 2.0.6 | CN1C=CC=C(C1=S)O |
| InChI | InChI | 1.03 | InChI=1S/C6H7NOS/c1-7-4-2-3-5(8)6(7)9/h2-4,8H,1H3 |
| InChIKey | InChI | 1.03 | SQEXIHSVVCJZTQ-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 3751472 |
| ChEMBL | CHEMBL1650621 |
