DTO
Summary
| Name: | 1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-2,3-DIOL |
| Formula: | C4 H10 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 170.25 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3S)-2,3-dihydroxy-4-sulfanylbutane-1-sulfenic acid |
| OpenEye OEToolkits | 1.5.0 | (2S,3S)-1-hydroxysulfanyl-4-sulfanyl-butane-2,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | SCC(O)C(O)CSO |
| SMILES_CANONICAL | CACTVS | 3.341 | OSC[C@@H](O)[C@H](O)CS |
| SMILES | CACTVS | 3.341 | OSC[CH](O)[CH](O)CS |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@H]([C@@H](CSO)O)O)S |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(CSO)O)O)S |
| InChI | InChI | 1.03 | InChI=1S/C4H10O3S2/c5-3(1-8)4(6)2-9-7/h3-8H,1-2H2/t3-,4-/m1/s1 |
| InChIKey | InChI | 1.03 | MFLGZMZEMVZQCC-QWWZWVQMSA-N |
