Summary
| Name: | PHOSPHORIC ACID MONO-[2-(4-METHYL-THIAZOL-5-YL)-ETHYL] ESTER |
| Formula: | C6 H10 N O4 P S |
| Formal charge: | 0 |
| Formula weight: | 223.187 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(4-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | 2-(4-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OCCc1scnc1C)(O)O |
| InChI | InChI | 1.02b | InChI=1/C6H10NO4PS/c1-5-6(13-4-7-5)2-3-11-12(8,9)10/h4H,2-3H2,1H3,(H2,8,9,10)/f/h8-9H |
| InChIKey | InChI | 1.02b | OCYMERZCMYJQQO-DEPUQRHOCA |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ncsc1CCO[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | Cc1ncsc1CCO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(scn1)CCOP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(scn1)CCOP(=O)(O)O |
