QB0
phenylsulfonylcarbamodithioic acid
| Created: | 2022-10-17 |
| Last modified: | 2023-03-08 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 20 |
| Chiral Atom Count | 0 |
| Bond Count | 20 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | phenylsulfonylcarbamodithioic acid |
| Systematic Name (OpenEye OEToolkits) | phenylsulfonylcarbamodithioic acid |
| Formula | C7 H7 N O2 S3 |
| Molecular Weight | 233.331 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | SC(=S)N[S](=O)(=O)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)S(=O)(=O)NC(=S)S |
| Canonical SMILES | CACTVS | 3.385 | SC(=S)N[S](=O)(=O)c1ccccc1 |
| Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)S(=O)(=O)NC(=S)S |
| 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 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 3911804, 431908 |
