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 |