Tris(2-chloropropyl) thiophosphate
TL;DR: Tris(2-chloropropyl) thiophosphate (CAS 33712-72-0) 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(2-chloropropoxy)-sulfanylidene-λ5-phosphane
Also Known As: Tris(2-chloropropyl) thiophosphate, o,o,o-tris(2-chloropropyl) phosphorothioate, tris(2-chloropropoxy)-sulfanylidene-, E5-phosphane, Phosphorothioic acid O,O,O-tris(2-chloropropyl) ester
| 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 | 33712-72-0 |
|---|---|
| SMILES | CC(COP(=S)(OCC(C)Cl)OCC(C)Cl)Cl |
| InChIKey | WWKDGLRDWDSGLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tris(2-chloropropyl) thiophosphate (CAS 33712-72-0), with molecular formula C9H18Cl3O3PS and molecular weight 341.98 g/mol. IUPAC: tris(2-chloropropoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Tris(2-chloropropyl) thiophosphate
Property Insights of Tris(2-chloropropyl) thiophosphate
The XLogP value of 4.3 indicates that Tris(2-chloropropyl) thiophosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, Tris(2-chloropropyl) thiophosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tris(2-chloropropyl) thiophosphate 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 Tris(2-chloropropyl) thiophosphate?
The CAS number of Tris(2-chloropropyl) thiophosphate is 33712-72-0.
What is the molecular formula of Tris(2-chloropropyl) thiophosphate?
The molecular formula of Tris(2-chloropropyl) thiophosphate is C9H18Cl3O3PS.
What is the molecular weight of Tris(2-chloropropyl) thiophosphate?
The molecular weight of Tris(2-chloropropyl) thiophosphate is 341.98 g/mol.
Where can I buy Tris(2-chloropropyl) thiophosphate?
You can request a quote for Tris(2-chloropropyl) thiophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(2-chloropropyl) thiophosphate?
Yes, KEHONG BIO provides custom synthesis services for Tris(2-chloropropyl) thiophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.