JYD
Summary
| Name: | (2S)-2-sulfanylbutanedioic acid |
| Synonyms: | thiomalate |
| Formula: | C4 H6 O4 S |
| Formal charge: | 0 |
| Formula weight: | 150.153 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-sulfanylbutanedioic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-sulfanylbutanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(=O)O)C(S)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | NJRXVEJTAYWCQJ-REOHCLBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@H](S)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH](S)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@@H](C(=O)O)S)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C(C(=O)O)S)C(=O)O |
