Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester
TL;DR: Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester (CAS 6436-05-1) is a chemical compound with molecular formula C12H21O2PS3 and molecular weight 324.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-sulfanylidene-(9-thiabicyclo[3.3.1]non-6-en-2-ylsulfanyl)-λ5-phosphane
Also Known As: Hooker hrs-1635, HRS 1635, ENT 27,159, Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester, o,o-diethyl s-9-thiabicyclo[3.3.1]non-6-en-2-yl phosphorodithioate
| Molecular Formula | C12H21O2PS3 |
|---|---|
| Molecular Weight | 324.04 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.04413 |
| Heavy Atoms | 18 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 6436-05-1 |
|---|---|
| SMILES | CCOP(=S)(OCC)SC1CCC2C=CCC1S2 |
| InChIKey | NXJGGWXIRDPAGW-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester (CAS 6436-05-1), with molecular formula C12H21O2PS3 and molecular weight 324.04 g/mol. IUPAC: diethoxy-sulfanylidene-(9-thiabicyclo[3.3.1]non-6-en-2-ylsulfanyl)-λ5-phosphane.
Chemical Property Profile of Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester
Property Insights of Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester
The XLogP value of 4.4 indicates that Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester has 0 hydrogen bond donor(s) and 5 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 Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester?
The CAS number of Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester is 6436-05-1.
What is the molecular formula of Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester?
The molecular formula of Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester is C12H21O2PS3.
What is the molecular weight of Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester?
The molecular weight of Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester is 324.04 g/mol.
Where can I buy Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester?
You can request a quote for Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,O-diethyl S-9-thiabicyclo(3.3.1)non-6-en-2-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.