HX5
Summary
| Name: | 4,6-dichloro-2-(methylsulfanyl)pyrimidine |
| Formula: | C5 H4 Cl2 N2 S |
| Formal charge: | 0 |
| Formula weight: | 195.07 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,6-dichloro-2-(methylsulfanyl)pyrimidine |
| OpenEye OEToolkits | 2.0.6 | 4,6-bis(chloranyl)-2-methylsulfanyl-pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(Cl)nc(nc1Cl)SC |
| InChI | InChI | 1.03 | InChI=1S/C5H4Cl2N2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3 |
| InChIKey | InChI | 1.03 | FCMLONIWOAGZJX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1nc(Cl)cc(Cl)n1 |
| SMILES | CACTVS | 3.385 | CSc1nc(Cl)cc(Cl)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CSc1nc(cc(n1)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CSc1nc(cc(n1)Cl)Cl |
