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 |