A1AVQ
Summary
| Name: | 1-[4-(2-aminoethyl)phenyl]-2-sulfanylethan-1-one |
| Formula: | C10 H13 N O S |
| Formal charge: | 0 |
| Formula weight: | 195.281 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[4-(2-aminoethyl)phenyl]-2-sulfanylethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[4-(2-azanylethyl)phenyl]-2-sulfanyl-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NCCc1ccc(cc1)C(=O)CS |
| InChI | InChI | 1.06 | InChI=1S/C10H13NOS/c11-6-5-8-1-3-9(4-2-8)10(12)7-13/h1-4,13H,5-7,11H2 |
| InChIKey | InChI | 1.06 | NYLZSDYWRQULOF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCc1ccc(cc1)C(=O)CS |
| SMILES | CACTVS | 3.385 | NCCc1ccc(cc1)C(=O)CS |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCN)C(=O)CS |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCN)C(=O)CS |
