JJG
Summary
| Name: | 4-[2-(phenylsulfanyl)ethyl]morpholine |
| Formula: | C12 H17 N O S |
| Formal charge: | 0 |
| Formula weight: | 223.334 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[2-(phenylsulfanyl)ethyl]morpholine |
| OpenEye OEToolkits | 2.0.6 | 4-(2-phenylsulfanylethyl)morpholine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1COCCN1CCSc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H17NOS/c1-2-4-12(5-3-1)15-11-8-13-6-9-14-10-7-13/h1-5H,6-11H2 |
| InChIKey | InChI | 1.03 | QDTNFZGZGSMNCU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CN(CCO1)CCSc2ccccc2 |
| SMILES | CACTVS | 3.385 | C1CN(CCO1)CCSc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)SCCN2CCOCC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)SCCN2CCOCC2 |
