MF9
Summary
| Name: | (3S)-3-[(4-chlorophenyl)sulfanyl]butanoic acid |
| Formula: | C10 H11 Cl O2 S |
| Formal charge: | 0 |
| Formula weight: | 230.711 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-[(4-chlorophenyl)sulfanyl]butanoic acid |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-(4-chlorophenyl)sulfanylbutanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(SC(C)CC(=O)O)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H11ClO2S/c1-7(6-10(12)13)14-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | DSCJEDOCSCNYAI-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CC(O)=O)Sc1ccc(Cl)cc1 |
| SMILES | CACTVS | 3.385 | C[CH](CC(O)=O)Sc1ccc(Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CC(=O)O)Sc1ccc(cc1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CC(=O)O)Sc1ccc(cc1)Cl |
