A1AXB
Summary
| Name: | N-(5-chloro-2-methoxyphenyl)thiourea |
| Formula: | C8 H9 Cl N2 O S |
| Formal charge: | 0 |
| Formula weight: | 216.688 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(5-chloro-2-methoxyphenyl)thiourea |
| OpenEye OEToolkits | 2.0.7 | 1-(5-chloranyl-2-methoxy-phenyl)thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ccc(Cl)cc1NC(N)=S |
| InChI | InChI | 1.06 | InChI=1S/C8H9ClN2OS/c1-12-7-3-2-5(9)4-6(7)11-8(10)13/h2-4H,1H3,(H3,10,11,13) |
| InChIKey | InChI | 1.06 | SEMNHAXMORNHNR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Cl)cc1NC(N)=S |
| SMILES | CACTVS | 3.385 | COc1ccc(Cl)cc1NC(N)=S |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1NC(=S)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1NC(=S)N)Cl |
