Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester
TL;DR: Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester (CAS 6313-39-9) is a chemical compound with molecular formula C11H18O4P2S4 and molecular weight 403.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-dimethoxyphosphinothioylsulfanyl-5-methylphenyl)sulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester, o,o,o',o'-tetramethyl s,s'-(5-methylbenzene-1,3-diyl) bis(phosphorodithioate), (3-dimethoxyphosphinothioylsulfanyl-5-methylphenyl)sulfanyl-dimethoxy-sulfanylidene-, O,O,O',O'-Tetramethyl S,S'-(5-methyl-1,3-phenylene) bis(phosphorodithioate), Phosphorodithioic acid, O,O,O',O'-tetramethyl S,S'-(5-methyl-1,3-phenylene) ester
| Molecular Formula | C11H18O4P2S4 |
|---|---|
| Molecular Weight | 403.96 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.95633 |
| Heavy Atoms | 21 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 6313-39-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)SP(=S)(OC)OC)SP(=S)(OC)OC |
| InChIKey | XLNZSRUEQPQQFM-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester (CAS 6313-39-9), with molecular formula C11H18O4P2S4 and molecular weight 403.96 g/mol. IUPAC: (3-dimethoxyphosphinothioylsulfanyl-5-methylphenyl)sulfanyl-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester
Property Insights of Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester
The XLogP value of 4.8 indicates that Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester has 0 hydrogen bond donor(s) and 8 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, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester?
The CAS number of Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester is 6313-39-9.
What is the molecular formula of Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester?
The molecular formula of Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester is C11H18O4P2S4.
What is the molecular weight of Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester?
The molecular weight of Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester is 403.96 g/mol.
Where can I buy Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester?
You can request a quote for Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl 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, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.