OPS
Summary
| Name: | 3-OXO-3-[(3-OXOPROPYL)SULFANYL]PROPANE-1-THIOLATE |
| Synonyms: | 2-(3-OXO-PROPYLSULFANYLCARBONYL)-ETHANETHIOLATE |
| Formula: | C6 H9 O2 S2 |
| Formal charge: | -1 |
| Formula weight: | 177.264 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-oxo-3-[(3-oxopropyl)sulfanyl]propane-1-thiolate |
| OpenEye OEToolkits | 1.5.0 | 3-oxo-3-(3-oxopropylsulfanyl)propane-1-thiolate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(SCCC=O)CC[S-] |
| SMILES_CANONICAL | CACTVS | 3.341 | [S-]CCC(=O)SCCC=O |
| SMILES | CACTVS | 3.341 | [S-]CCC(=O)SCCC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CSC(=O)CC[S-])C=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CSC(=O)CC[S-])C=O |
| InChI | InChI | 1.03 | InChI=1S/C6H10O2S2/c7-3-1-5-10-6(8)2-4-9/h3,9H,1-2,4-5H2/p-1 |
| InChIKey | InChI | 1.03 | LHLHVBHXBHTTIV-UHFFFAOYSA-M |
