KPC
Summary
| Name: | (2-[2-KETOPROPYLTHIO]ETHANESULFONATE |
| Formula: | C5 H10 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 198.26 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[(2-oxopropyl)sulfanyl]ethanesulfonic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(2-oxopropylsulfanyl)ethanesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)CCSCC(=O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)CSCC[S](O)(=O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)CSCC[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)CSCCS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)CSCCS(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H10O4S2/c1-5(6)4-10-2-3-11(7,8)9/h2-4H2,1H3,(H,7,8,9) |
| InChIKey | InChI | 1.03 | CRNXHFXAXBWIRH-UHFFFAOYSA-N |
