QB0
Summary
| Name: | phenylsulfonylcarbamodithioic acid |
| Formula: | C7 H7 N O2 S3 |
| Formal charge: | 0 |
| Formula weight: | 233.331 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | phenylsulfonylcarbamodithioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H7NO2S3/c9-13(10,8-7(11)12)6-4-2-1-3-5-6/h1-5H,(H2,8,11,12) |
| InChIKey | InChI | 1.06 | OBMLUXVYPZNXGO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | SC(=S)N[S](=O)(=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | SC(=S)N[S](=O)(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)S(=O)(=O)NC(=S)S |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)S(=O)(=O)NC(=S)S |
