S-butyl O-(1-methylethyl) methyl thiophosphonate
TL;DR: S-butyl O-(1-methylethyl) methyl thiophosphonate (CAS 64679-65-8) is a chemical compound with molecular formula C8H19O2PS and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yloxy-methyl-propan-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: GA 41, S-butylO- methylthiophosphonate, S-Butyl O-(1-methylethyl) methyl thiophosphonate, o-butan-2-yl o-propan-2-yl methylphosphonothioate, butan-2-yloxy-methyl-propan-2-yloxy-sulfanylidene-
| Molecular Formula | C8H19O2PS |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.08434 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 64679-65-8 |
|---|---|
| SMILES | CCC(C)OP(=S)(C)OC(C)C |
| InChIKey | RHIVCZKNSMCBNC-UHFFFAOYSA-N |
Product Overview
S-butyl O-(1-methylethyl) methyl thiophosphonate (CAS 64679-65-8), with molecular formula C8H19O2PS and molecular weight 210.08 g/mol. IUPAC: butan-2-yloxy-methyl-propan-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of S-butyl O-(1-methylethyl) methyl thiophosphonate
Property Insights of S-butyl O-(1-methylethyl) methyl thiophosphonate
The XLogP value of 3.3 indicates that S-butyl O-(1-methylethyl) methyl thiophosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, S-butyl O-(1-methylethyl) methyl thiophosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-butyl O-(1-methylethyl) methyl thiophosphonate has 0 hydrogen bond donor(s) and 3 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 S-butyl O-(1-methylethyl) methyl thiophosphonate?
The CAS number of S-butyl O-(1-methylethyl) methyl thiophosphonate is 64679-65-8.
What is the molecular formula of S-butyl O-(1-methylethyl) methyl thiophosphonate?
The molecular formula of S-butyl O-(1-methylethyl) methyl thiophosphonate is C8H19O2PS.
What is the molecular weight of S-butyl O-(1-methylethyl) methyl thiophosphonate?
The molecular weight of S-butyl O-(1-methylethyl) methyl thiophosphonate is 210.08 g/mol.
Where can I buy S-butyl O-(1-methylethyl) methyl thiophosphonate?
You can request a quote for S-butyl O-(1-methylethyl) methyl thiophosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-butyl O-(1-methylethyl) methyl thiophosphonate?
Yes, KEHONG BIO provides custom synthesis services for S-butyl O-(1-methylethyl) methyl thiophosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.