Phosphorotrithioic acid, S,S-dibutyl O-methyl ester
TL;DR: Phosphorotrithioic acid, S,S-dibutyl O-methyl ester (CAS 22082-31-1) is a chemical compound with molecular formula C9H21OPS3 and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(butylsulfanyl)-methoxy-sulfanylidene-λ5-phosphane
Also Known As: O-Methyl-S,S-dibutyl-trithiophosphat, S,S-dibutyl O-methyl phosphorotrithioate, bis(butylsulfanyl)-methoxy-sulfanylidene-, Phosphorotrithioic acid, S,S-dibutyl O-methyl ester, Phosphorotrithioicacid, S,S-dibutyl O-methyl ester
| Molecular Formula | C9H21OPS3 |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 272.04922 |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 22082-31-1 |
|---|---|
| SMILES | CCCCSP(=S)(OC)SCCCC |
| InChIKey | KGCDGMMDKRRSRP-UHFFFAOYSA-N |
Product Overview
Phosphorotrithioic acid, S,S-dibutyl O-methyl ester (CAS 22082-31-1), with molecular formula C9H21OPS3 and molecular weight 272.05 g/mol. IUPAC: bis(butylsulfanyl)-methoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorotrithioic acid, S,S-dibutyl O-methyl ester
Property Insights of Phosphorotrithioic acid, S,S-dibutyl O-methyl ester
The XLogP value of 4.5 indicates that Phosphorotrithioic acid, S,S-dibutyl O-methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorotrithioic acid, S,S-dibutyl O-methyl ester. Following Lipinski's Rule of Five, Phosphorotrithioic acid, S,S-dibutyl O-methyl ester 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 Phosphorotrithioic acid, S,S-dibutyl O-methyl ester?
The CAS number of Phosphorotrithioic acid, S,S-dibutyl O-methyl ester is 22082-31-1.
What is the molecular formula of Phosphorotrithioic acid, S,S-dibutyl O-methyl ester?
The molecular formula of Phosphorotrithioic acid, S,S-dibutyl O-methyl ester is C9H21OPS3.
What is the molecular weight of Phosphorotrithioic acid, S,S-dibutyl O-methyl ester?
The molecular weight of Phosphorotrithioic acid, S,S-dibutyl O-methyl ester is 272.05 g/mol.
Where can I buy Phosphorotrithioic acid, S,S-dibutyl O-methyl ester?
You can request a quote for Phosphorotrithioic acid, S,S-dibutyl O-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorotrithioic acid, S,S-dibutyl O-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorotrithioic acid, S,S-dibutyl O-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.