Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) ester (CAS 87274-57-5) is a chemical compound with molecular formula C9H19O3PS and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-(3-methylbut-3-enoxy)-sulfanylidene-λ5-phosphane
Also Known As: O,O-Diethyl O-(3-methyl-3-butenyl) phosphorothioate, Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) ester, diethoxy-(3-methylbut-3-enoxy)-sulfanylidene-, O,O-diethyl O-(3-methylbut-3-en-1-yl) phosphorothioate
| Molecular Formula | C9H19O3PS |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 238.07925 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 87274-57-5 |
|---|---|
| SMILES | CCOP(=S)(OCC)OCCC(=C)C |
| InChIKey | UWGKWPJJZGBVBK-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) ester (CAS 87274-57-5), with molecular formula C9H19O3PS and molecular weight 238.08 g/mol. IUPAC: diethoxy-(3-methylbut-3-enoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) ester
The XLogP value of 3.7 indicates that Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) 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-diethyl O-(3-methyl-3-butenyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) ester is 87274-57-5.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) ester is C9H19O3PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) ester is 238.08 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) 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-diethyl O-(3-methyl-3-butenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl O-(3-methyl-3-butenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.