2-Propanol, 1,3-dichloro-, 2,2',2''-phosphorothioate
TL;DR: 2-Propanol, 1,3-dichloro-, 2,2',2''-phosphorothioate (CAS 29081-63-8) is a chemical compound with molecular formula C9H15Cl6O3PS and molecular weight 443.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(1,3-dichloropropan-2-yloxy)-sulfanylidene-λ5-phosphane
Also Known As: 2-Propanol, 1,3-dichloro-, phosphorothioate (3:1), o,o,o-tris(1,3-dichloropropan-2-yl) phosphorothioate, 2-Propanol, 1,3-dichloro-, 2,2',2''-phosphorothioate, tris(1,3-dichloropropan-2-yloxy)-sulfanylidene-, Phosphorothioic acid, O,O,O-tris[2-chloro-1-(chloromethyl)ethyl] ester
| Molecular Formula | C9H15Cl6O3PS |
|---|---|
| Molecular Weight | 443.86 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 445.85812 |
| Heavy Atoms | 20 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 29081-63-8 |
|---|---|
| SMILES | C(C(CCl)OP(=S)(OC(CCl)CCl)OC(CCl)CCl)Cl |
| InChIKey | MVFGNANFVLWWJR-UHFFFAOYSA-N |
Product Overview
2-Propanol, 1,3-dichloro-, 2,2',2''-phosphorothioate (CAS 29081-63-8), with molecular formula C9H15Cl6O3PS and molecular weight 443.86 g/mol. IUPAC: tris(1,3-dichloropropan-2-yloxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of 2-Propanol, 1,3-dichloro-, 2,2',2''-phosphorothioate
Property Insights of 2-Propanol, 1,3-dichloro-, 2,2',2''-phosphorothioate
The XLogP value of 5.0 indicates that 2-Propanol, 1,3-dichloro-, 2,2',2''-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, 2-Propanol, 1,3-dichloro-, 2,2',2''-phosphorothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanol, 1,3-dichloro-, 2,2',2''-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 2-Propanol, 1,3-dichloro-, 2,2',2''-phosphorothioate?
The CAS number of 2-Propanol, 1,3-dichloro-, 2,2',2''-phosphorothioate is 29081-63-8.
What is the molecular formula of 2-Propanol, 1,3-dichloro-, 2,2',2''-phosphorothioate?
The molecular formula of 2-Propanol, 1,3-dichloro-, 2,2',2''-phosphorothioate is C9H15Cl6O3PS.
What is the molecular weight of 2-Propanol, 1,3-dichloro-, 2,2',2''-phosphorothioate?
The molecular weight of 2-Propanol, 1,3-dichloro-, 2,2',2''-phosphorothioate is 443.86 g/mol.
Where can I buy 2-Propanol, 1,3-dichloro-, 2,2',2''-phosphorothioate?
You can request a quote for 2-Propanol, 1,3-dichloro-, 2,2',2''-phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanol, 1,3-dichloro-, 2,2',2''-phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanol, 1,3-dichloro-, 2,2',2''-phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.