3SS
Summary
| Name: | 3-disulfanylpropanoic acid |
| Formula: | C3 H6 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 138.209 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-disulfanylpropanoic acid |
| OpenEye OEToolkits | 1.7.6 | 3-(disulfanyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCSS |
| InChI | InChI | 1.03 | InChI=1S/C3H6O2S2/c4-3(5)1-2-7-6/h6H,1-2H2,(H,4,5) |
| InChIKey | InChI | 1.03 | CXXDUKKBFUFJDF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CCSS |
| SMILES | CACTVS | 3.370 | OC(=O)CCSS |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CSS)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CSS)C(=O)O |
