A1CS4
Summary
| Name: | (4-bromanyl-5-methyl-thiophen-2-yl)-oxidanyl-oxidanylidene-boron |
| Formula: | C5 H5 B Br O2 S |
| Formal charge: | 0 |
| Formula weight: | 219.872 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (4-bromanyl-5-methyl-thiophen-2-yl)-oxidanyl-oxidanylidene-boron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H5BBrO2S/c1-3-4(7)2-5(10-3)6(8)9/h2,8H,1H3 |
| InChIKey | InChI | 1.06 | LBOZEMFTUYESPV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(cc1Br)[B](O)=O |
| SMILES | CACTVS | 3.385 | Cc1sc(cc1Br)[B](O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | B(=O)(c1cc(c(s1)C)Br)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | B(=O)(c1cc(c(s1)C)Br)O |
