A1AVP
Summary
| Name: | 1-[4-(3-aminopropyl)phenyl]-2-sulfanylethan-1-one |
| Formula: | C11 H15 N O S |
| Formal charge: | 0 |
| Formula weight: | 209.308 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[4-(3-aminopropyl)phenyl]-2-sulfanylethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[4-(3-azanylpropyl)phenyl]-2-sulfanyl-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | SCC(=O)c1ccc(CCCN)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H15NOS/c12-7-1-2-9-3-5-10(6-4-9)11(13)8-14/h3-6,14H,1-2,7-8,12H2 |
| InChIKey | InChI | 1.06 | OZSHBNBXWNRHLO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCc1ccc(cc1)C(=O)CS |
| SMILES | CACTVS | 3.385 | NCCCc1ccc(cc1)C(=O)CS |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCCN)C(=O)CS |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCCN)C(=O)CS |
