2XE
Summary
| Name: | 4-bromobenzenethiol |
| Formula: | C6 H5 Br S |
| Formal charge: | 0 |
| Formula weight: | 189.073 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-bromobenzenethiol |
| OpenEye OEToolkits | 1.7.6 | 4-bromanylbenzenethiol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1ccc(S)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H |
| InChIKey | InChI | 1.03 | FTBCOQFMQSTCQQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Sc1ccc(Br)cc1 |
| SMILES | CACTVS | 3.385 | Sc1ccc(Br)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1S)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1S)Br |
