O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate
TL;DR: O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate (CAS 6044-12-8) is a chemical compound with molecular formula C9H18Cl3O3PS and molecular weight 341.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(1-chloropropan-2-yloxy)-sulfanylidene-λ5-phosphane
Also Known As: tris(1-chloropropan-2-yloxy)-sulfanylidene-, O,O,O-Tris(1-chloropropan-2-yl) phosphorothioate, O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate, Thiophosphoric acid O,O,O-tris(2-chloro-1-methylethyl) ester, EINECS 227-932-2
| Molecular Formula | C9H18Cl3O3PS |
|---|---|
| Molecular Weight | 341.98 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 341.978 |
| Heavy Atoms | 17 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 6044-12-8 |
|---|---|
| SMILES | CC(CCl)OP(=S)(OC(C)CCl)OC(C)CCl |
| InChIKey | MTWHVJXVRCNIOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate (CAS 6044-12-8), with molecular formula C9H18Cl3O3PS and molecular weight 341.98 g/mol. IUPAC: tris(1-chloropropan-2-yloxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate
Property Insights of O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate
The XLogP value of 4.3 indicates that O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate 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 O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate?
The CAS number of O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate is 6044-12-8.
What is the molecular formula of O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate?
The molecular formula of O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate is C9H18Cl3O3PS.
What is the molecular weight of O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate?
The molecular weight of O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate is 341.98 g/mol.
Where can I buy O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate?
You can request a quote for O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O,O-Tris(2-chloro-1-methylethyl) phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.