9DC
Summary
| Name: | (2S)-2,3-disulfanylpropan-1-ol |
| Formula: | C3 H8 O S2 |
| Formal charge: | 0 |
| Formula weight: | 124.225 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2,3-disulfanylpropan-1-ol |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2,3-bis(sulfanyl)propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCC(S)CS |
| InChI | InChI | 1.03 | InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | WQABCVAJNWAXTE-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H](S)CS |
| SMILES | CACTVS | 3.385 | OC[CH](S)CS |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@@H](CS)S)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C(CS)S)O |
