IS8
Summary
| Name: | isothiocyanate |
| Formula: | C H N S |
| Formal charge: | 0 |
| Formula weight: | 59.09 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | isothiocyanic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/CHNS/c2-1-3/h2H |
| InChIKey | InChI | 1.03 | GRHBQAYDJPGGLF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N=C=S |
| SMILES | CACTVS | 3.385 | N=C=S |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(=N)=S |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(=N)=S |
