UL9
Summary
| Name: | 3-isothiocyanatoprop-1-ene |
| Formula: | C4 H5 N S |
| Formal charge: | 0 |
| Formula weight: | 99.154 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-isothiocyanatoprop-1-ene |
| OpenEye OEToolkits | 2.0.7 | 3-isothiocyanatoprop-1-ene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=CC\N=C=S |
| InChI | InChI | 1.06 | InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2 |
| InChIKey | InChI | 1.06 | ZOJBYZNEUISWFT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C=CCN=C=S |
| SMILES | CACTVS | 3.385 | C=CCN=C=S |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CCN=C=S |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CCN=C=S |
