VDD
Summary
| Name: | (2S)-2-[(pyridin-2-yl)sulfanyl]propanoic acid |
| Formula: | C8 H9 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 183.228 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-[(pyridin-2-yl)sulfanyl]propanoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-pyridin-2-ylsulfanylpropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(Sc1ccccn1)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C8H9NO2S/c1-6(8(10)11)12-7-4-2-3-5-9-7/h2-6H,1H3,(H,10,11)/t6-/m0/s1 |
| InChIKey | InChI | 1.06 | FAAIBCMHMKYUAH-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Sc1ccccn1)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](Sc1ccccn1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)O)Sc1ccccn1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)O)Sc1ccccn1 |
