Pentaerythritol thiophosphate
(1-sulfanylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol
Also Known As: pentaerythritol thiophosphate|(1-sulfanylidene-2,6,7-trioxa-1|2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-sulfide|1,3-Propanediol, 2-(dihydroxymethyl)-, cyclic phosphorothioate (1:1)|4-Hydroxymethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-sulfide|1-Phospha-2,6,7-trioxabicyclo[2.2.2]octane-4-methanol 1-sulfide|2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethanol 1-sulfide|4-(Hydroxymethyl)-1-phospha-2,6,7-trioxabicyclo[2.2.2]octane1-sulfide|4-(hydroxymethyl)-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-1-thione|4-(Hydroxymethyl)-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane1-sulfide|4-Hydroxymethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane1-sulfide|[4-(hydroxymethyl)-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-1-ium-1-yl]sulfanide|4-(Hydroxymethyl)-2,6,7-trioxa-1lambda~5~-phosphabicyclo[2.2.2]octane-1-thione
| Molecular Formula | C5H9O4PS |
|---|---|
| Molecular Weight | 195.99591 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.99591 |
| Monoisotopic Mass | 195.99591 |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 768-87-6 |
|---|---|
| SMILES | C1C2(COP(=S)(O1)OC2)CO |
| InChIKey | IZDACOCJCGTEMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentaerythritol thiophosphate (CAS 768-87-6), with molecular formula C5H9O4PS and molecular weight 195.99591 g/mol. IUPAC: (1-sulfanylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol.
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