HFX
Summary
| Name: | 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one |
| Formula: | C9 H9 Cl O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 248.75 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5~{H}-2-benzothiophen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9ClO2S2/c1-14(12)9-7-5(8(10)13-9)3-2-4-6(7)11/h2-4H2,1H3/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | PGSSJIDFZJTWLZ-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S@](=O)c1sc(Cl)c2CCCC(=O)c12 |
| SMILES | CACTVS | 3.385 | C[S](=O)c1sc(Cl)c2CCCC(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)c1c2c(c(s1)Cl)CCCC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)c1c2c(c(s1)Cl)CCCC2=O |
