IBZ
Summary
| Name: | 2-IODOBENZYLTHIO GROUP |
| Formula: | C7 H7 I S |
| Formal charge: | 0 |
| Formula weight: | 250.1 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2-iodophenyl)methanethiol |
| OpenEye OEToolkits | 1.5.0 | (2-iodophenyl)methanethiol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Ic1ccccc1CS |
| SMILES_CANONICAL | CACTVS | 3.341 | SCc1ccccc1I |
| SMILES | CACTVS | 3.341 | SCc1ccccc1I |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)CS)I |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)CS)I |
| InChI | InChI | 1.03 | InChI=1S/C7H7IS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2 |
| InChIKey | InChI | 1.03 | KVYARXTXGITUCU-UHFFFAOYSA-N |
