QRL
Summary
| Name: | S-methyl hexanethioate |
| Formula: | C7 H14 O S |
| Formal charge: | 0 |
| Formula weight: | 146.25 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | S-methyl hexanethioate |
| OpenEye OEToolkits | 1.7.6 | S-methyl hexanethioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCCCC(=O)SC |
| InChI | InChI | 1.03 | InChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3 |
| InChIKey | InChI | 1.03 | AKGAHYLJHAOPKQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC(=O)SC |
| SMILES | CACTVS | 3.385 | CCCCCC(=O)SC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCC(=O)SC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCC(=O)SC |
