FTE
Summary
| Name: | phenylisothiocyanate |
| Synonyms: | isothiocyanatobenzene |
| Formula: | C7 H5 N S |
| Formal charge: | 0 |
| Formula weight: | 135.186 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | isothiocyanatobenzene |
| OpenEye OEToolkits | 1.7.0 | isothiocyanatobenzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C=N\c1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | S=C=Nc1ccccc1 |
| SMILES | CACTVS | 3.370 | S=C=Nc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)N=C=S |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)N=C=S |
| InChI | InChI | 1.03 | InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H |
| InChIKey | InChI | 1.03 | QKFJKGMPGYROCL-UHFFFAOYSA-N |
