IFS
Summary
| Name: | bis(1-methylethyl) [2-(sulfanylmethyl)phenyl]phosphonate |
| Synonyms: | Diisopropyl 2-(sulfanylmethyl)phenylphosphonate |
| Formula: | C13 H21 O3 P S |
| Formal charge: | 0 |
| Formula weight: | 288.343 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | dipropan-2-yl [2-(sulfanylmethyl)phenyl]phosphonate |
| OpenEye OEToolkits | 1.6.1 | [2-di(propan-2-yloxy)phosphorylphenyl]methanethiol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=P(OC(C)C)(OC(C)C)c1ccccc1CS |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)O[P](=O)(OC(C)C)c1ccccc1CS |
| SMILES | CACTVS | 3.352 | CC(C)O[P](=O)(OC(C)C)c1ccccc1CS |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)OP(=O)(c1ccccc1CS)OC(C)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)OP(=O)(c1ccccc1CS)OC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13-8-6-5-7-12(13)9-18/h5-8,10-11,18H,9H2,1-4H3 |
| InChIKey | InChI | 1.03 | JFZVPWMZPZJUTE-UHFFFAOYSA-N |
