46V
Summary
| Name: | 1-(4-bromo-2-chlorophenyl)-3-methylthiourea |
| Formula: | C8 H8 Br Cl N2 S |
| Formal charge: | 0 |
| Formula weight: | 279.585 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(4-bromo-2-chlorophenyl)-3-methylthiourea |
| OpenEye OEToolkits | 1.9.2 | 1-(4-bromanyl-2-chloranyl-phenyl)-3-methyl-thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cc(Cl)c(NC(=S)NC)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C8H8BrClN2S/c1-11-8(13)12-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H2,11,12,13) |
| InChIKey | InChI | 1.03 | LXSVLJOSFCRPPA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=S)Nc1ccc(Br)cc1Cl |
| SMILES | CACTVS | 3.385 | CNC(=S)Nc1ccc(Br)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNC(=S)Nc1ccc(cc1Cl)Br |
| SMILES | OpenEye OEToolkits | 1.9.2 | CNC(=S)Nc1ccc(cc1Cl)Br |
