MMQ
Summary
| Name: | MERCAPTOMETHYL PHOSPHONATE |
| Formula: | C H3 O3 P S |
| Formal charge: | -2 |
| Formula weight: | 126.071 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (sulfanylmethyl)phosphonate |
| OpenEye OEToolkits | 1.5.0 | phosphonatomethanethiol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]P([O-])(=O)CS |
| SMILES_CANONICAL | CACTVS | 3.341 | [O-][P]([O-])(=O)CS |
| SMILES | CACTVS | 3.341 | [O-][P]([O-])(=O)CS |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(P(=O)([O-])[O-])S |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(P(=O)([O-])[O-])S |
| InChI | InChI | 1.03 | InChI=1S/CH5O3PS/c2-5(3,4)1-6/h6H,1H2,(H2,2,3,4)/p-2 |
| InChIKey | InChI | 1.03 | MJZCELCYTRONIX-UHFFFAOYSA-L |
