Methyl phosphorodithioate
TL;DR: Methyl phosphorodithioate (CAS 2953-29-9) is a chemical compound with molecular formula C3H9O2PS2 and molecular weight 171.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-methylsulfanyl-sulfanylidene-λ5-phosphane
Also Known As: O,O,S-Trimethyl dithiophosphate, OOSMeS, Methyl phosphorodithioate, O,O,S-Trimethyl phosphorodithioate, OOS-MeP(S)
| Molecular Formula | C3H9O2PS2 |
|---|---|
| Molecular Weight | 171.98 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.97816 |
| Heavy Atoms | 8 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 2953-29-9 |
|---|---|
| SMILES | COP(=S)(OC)SC |
| InChIKey | ILDHFYGNYDICFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl phosphorodithioate (CAS 2953-29-9), with molecular formula C3H9O2PS2 and molecular weight 171.98 g/mol. IUPAC: dimethoxy-methylsulfanyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Methyl phosphorodithioate
Property Insights of Methyl phosphorodithioate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl phosphorodithioate. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl phosphorodithioate. Following Lipinski's Rule of Five, Methyl phosphorodithioate 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 Methyl phosphorodithioate?
The CAS number of Methyl phosphorodithioate is 2953-29-9.
What is the molecular formula of Methyl phosphorodithioate?
The molecular formula of Methyl phosphorodithioate is C3H9O2PS2.
What is the molecular weight of Methyl phosphorodithioate?
The molecular weight of Methyl phosphorodithioate is 171.98 g/mol.
Where can I buy Methyl phosphorodithioate?
You can request a quote for Methyl phosphorodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl phosphorodithioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl phosphorodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.