3EC
Summary
| Name: | 5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde |
| Formula: | C8 H11 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 185.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde |
| OpenEye OEToolkits | 1.7.6 | 5-(2-azanylethylsulfanylmethyl)furan-2-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=Cc1oc(cc1)CSCCN |
| InChI | InChI | 1.03 | InChI=1S/C8H11NO2S/c9-3-4-12-6-8-2-1-7(5-10)11-8/h1-2,5H,3-4,6,9H2 |
| InChIKey | InChI | 1.03 | IXLKFYGLYDVEMS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCSCc1oc(C=O)cc1 |
| SMILES | CACTVS | 3.385 | NCCSCc1oc(C=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(oc1CSCCN)C=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(oc1CSCCN)C=O |
