![4-METHYL-2,6,7-TRIOXA-1-PHOSPHABICYCLO[2.2.2] OCTANE-1-SULFIDE](/api/spectrum/DjKbrmFHTNc/structure.png?h=300&w=458 "4-METHYL-2,6,7-TRIOXA-1-PHOSPHABICYCLO[2.2.2] OCTANE-1-SULFIDE")
| SpectraBase Compound ID | LKbqv1Wtmkz |
|---|---|
| InChI | InChI=1S/C5H9O3PS/c1-5-2-6-9(10,7-3-5)8-4-5/h2-4H2,1H3 |
| InChIKey | OKSHJMXSMVSYAW-UHFFFAOYSA-N |
| Mol Weight | 180.16 g/mol |
| Molecular Formula | C5H9O3PS |
| Exact Mass | 180.001002 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DjKbrmFHTNc |
|---|---|
| Name | 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl, cyclic phosphorothioate (1:1) |
| CAS Registry Number | 3196-56-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H9O3PS |
| InChI | InChI=1S/C5H9O3PS/c1-5-2-6-9(10,7-3-5)8-4-5/h2-4H2,1H3 |
| InChIKey | OKSHJMXSMVSYAW-UHFFFAOYSA-N |
| Molecular Weight | 180.158 g/mol |
| SMILES | C1OP2(OCC1(CO2)C)=S |
| SPLASH | splash10-0a7i-9300000000-9e1dd4a3f6f4c7de82f0 |
| Source of Spectrum | O-15-521-2 |
| Synonyms | 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, cyclic O,O,O-ester with phosphorothioic acid 2-(Hydroxymethyl)-2-methyl-1,3-propanediol, cyclic phosphorothioate (1:1) 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-sulphide 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-1-sulfide Phosphorothioic acid, cyclic O,O,O-ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol 4-Methyl-1-sulfanylidene-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octane BRN 1909771 |
| Wiley ID | 1175593 |