TM4
Summary
| Name: | 3-hydroxy-2-methyl-4H-pyran-4-thione |
| Formula: | C6 H6 O2 S |
| Formal charge: | 0 |
| Formula weight: | 142.176 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-hydroxy-2-methyl-4H-pyran-4-thione |
| OpenEye OEToolkits | 1.7.6 | 2-methyl-3-oxidanyl-pyran-4-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C1C(O)=C(OC=C1)C |
| InChI | InChI | 1.03 | InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3 |
| InChIKey | InChI | 1.03 | GKLSXUGPECNEMX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(O)C(=S)C=CO1 |
| SMILES | CACTVS | 3.385 | CC1=C(O)C(=S)C=CO1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=C(C(=S)C=CO1)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=C(C(=S)C=CO1)O |
