I1J
Summary
| Name: | 1,3-bis(sulfanyl)propan-2-one |
| Formula: | C3 H6 O S2 |
| Formal charge: | 0 |
| Formula weight: | 122.209 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3-bis(sulfanyl)propan-2-one |
| OpenEye OEToolkits | 2.0.7 | 1,3-bis(sulfanyl)propan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | SCC(=O)CS |
| InChI | InChI | 1.03 | InChI=1S/C3H6OS2/c4-3(1-5)2-6/h5-6H,1-2H2 |
| InChIKey | InChI | 1.03 | QCBZCEKWIGTIMT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | SCC(=O)CS |
| SMILES | CACTVS | 3.385 | SCC(=O)CS |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(C(=O)CS)S |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C(=O)CS)S |
