A1C4P
Summary
| Name: | 1-(morpholin-4-yl)-2-sulfanylethan-1-one |
| Formula: | C6 H11 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 161.222 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-(morpholin-4-yl)-2-sulfanylethan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-morpholin-4-yl-2-sulfanyl-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(CS)N1CCOCC1 |
| InChI | InChI | 1.06 | InChI=1S/C6H11NO2S/c8-6(5-10)7-1-3-9-4-2-7/h10H,1-5H2 |
| InChIKey | InChI | 1.06 | MCUXYBBFLCGNJU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | SCC(=O)N1CCOCC1 |
| SMILES | CACTVS | 3.385 | SCC(=O)N1CCOCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1COCCN1C(=O)CS |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1COCCN1C(=O)CS |
