LE2
Summary
| Name: | N-(2-phenylethyl)thioformamide |
| Synonyms: | Phenylethyl isothiocyanate, bound form N-(2-phenylethyl)thiocarbamyl group |
| Formula: | C9 H11 N S |
| Formal charge: | 0 |
| Formula weight: | 165.255 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2-phenylethyl)thioformamide |
| OpenEye OEToolkits | 1.7.2 | N-phenethylmethanethioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=CNCCc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C9H11NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11) |
| InChIKey | InChI | 1.03 | WVJCPUDEWCGDGL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | S=CNCCc1ccccc1 |
| SMILES | CACTVS | 3.370 | S=CNCCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CCNC=S |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CCNC=S |
