Phosphorothioic acid, O,O-dimethyl S-hexyl ester
TL;DR: Phosphorothioic acid, O,O-dimethyl S-hexyl ester (CAS 79985-90-3) is a chemical compound with molecular formula C8H19O3PS and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexan-2-yloxy-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: O,O-Dimethyl S-hexyl phosphorothioate, hexan-2-yloxy-dimethoxy-sulfanylidene-, Phosphorothioic acid, O,O-dimethyl S-hexyl ester, O-Hexan-2-yl O,O-dimethyl phosphorothioate, 4-01-00-01707 (Beilstein Handbook Reference)
| Molecular Formula | C8H19O3PS |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 3.099 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.07925 |
| Heavy Atoms | 13 |
| Complexity | 166.77208 |
Chemical Identifiers
| CAS Number | 79985-90-3 |
|---|---|
| SMILES | CCCCC(C)OP(=S)(OC)OC |
Product Overview
Phosphorothioic acid, O,O-dimethyl S-hexyl ester (CAS 79985-90-3), with molecular formula C8H19O3PS and molecular weight 226.08 g/mol. IUPAC: hexan-2-yloxy-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-dimethyl S-hexyl ester
Property Insights of Phosphorothioic acid, O,O-dimethyl S-hexyl ester
The XLogP value of 3.099 indicates that Phosphorothioic acid, O,O-dimethyl S-hexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.69 Ų, Phosphorothioic acid, O,O-dimethyl S-hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dimethyl S-hexyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphorothioic acid, O,O-dimethyl S-hexyl ester?
The CAS number of Phosphorothioic acid, O,O-dimethyl S-hexyl ester is 79985-90-3.
What is the molecular formula of Phosphorothioic acid, O,O-dimethyl S-hexyl ester?
The molecular formula of Phosphorothioic acid, O,O-dimethyl S-hexyl ester is C8H19O3PS.
What is the molecular weight of Phosphorothioic acid, O,O-dimethyl S-hexyl ester?
The molecular weight of Phosphorothioic acid, O,O-dimethyl S-hexyl ester is 226.08 g/mol.
Where can I buy Phosphorothioic acid, O,O-dimethyl S-hexyl ester?
You can request a quote for Phosphorothioic acid, O,O-dimethyl S-hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O,O-dimethyl S-hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dimethyl S-hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.