CC8
Summary
| Name: | (2S)-2-METHYL-3-SULFANYLPROPANOIC ACID |
| Formula: | C4 H8 O2 S |
| Formal charge: | 0 |
| Formula weight: | 120.17 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-methyl-3-sulfanylpropanoic acid |
| OpenEye OEToolkits | 1.6.1 | (2S)-2-methyl-3-sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(C)CS |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@H](CS)C(O)=O |
| SMILES | CACTVS | 3.352 | C[CH](CS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C[C@H](CS)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(CS)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H8O2S/c1-3(2-7)4(5)6/h3,7H,2H2,1H3,(H,5,6)/t3-/m1/s1 |
| InChIKey | InChI | 1.03 | MHRDCHHESNJQIS-GSVOUGTGSA-N |
