MQI
Summary
| Name: | 8-HYDROSULFONYL-2-METHYLQUINOLINE |
| Formula: | C10 H9 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 207.249 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 8-(dioxidosulfanyl)-3-methylquinoline |
| OpenEye OEToolkits | 1.5.0 | 3-methyl-8-sulfino-quinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)c1cccc2cc(cnc12)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cnc2c(cccc2[SH](=O)=O)c1 |
| SMILES | CACTVS | 3.341 | Cc1cnc2c(cccc2[SH](=O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc2cccc(c2nc1)S(=O)=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc2cccc(c2nc1)S(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H9NO2S/c1-7-5-8-3-2-4-9(14(12)13)10(8)11-6-7/h2-6,14H,1H3 |
| InChIKey | InChI | 1.03 | RPLVDIXQTLHWEQ-UHFFFAOYSA-N |
