A1CFC
Summary
| Name: | 1-{4-[(R)-methanesulfinyl]phenyl}methanamine |
| Formula: | C8 H11 N O S |
| Formal charge: | 0 |
| Formula weight: | 169.244 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-{4-[(R)-methanesulfinyl]phenyl}methanamine |
| OpenEye OEToolkits | 3.1.0.0 | (4-methylsulfinylphenyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(C)c1ccc(CN)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C8H11NOS/c1-11(10)8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3 |
| InChIKey | InChI | 1.06 | OVDPJXUHQXPHIX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S@@](=O)c1ccc(CN)cc1 |
| SMILES | CACTVS | 3.385 | C[S](=O)c1ccc(CN)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CS(=O)c1ccc(cc1)CN |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CS(=O)c1ccc(cc1)CN |
