Phosphonodithioic acid, phenyl-, S,S-dipentyl ester
TL;DR: Phosphonodithioic acid, phenyl-, S,S-dipentyl ester (CAS 68598-38-9) is a chemical compound with molecular formula C16H27OPS2 and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(pentylsulfanyl)phosphorylbenzene
Also Known As: bis(pentylsulfanyl)phosphorylbenzene, S,S-Dipentyl phenylphosphonodithioate, Phosphonodithioic acid, phenyl-, S,S-dipentyl ester
| Molecular Formula | C16H27OPS2 |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 330.12408 |
| Heavy Atoms | 20 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 68598-38-9 |
|---|---|
| SMILES | CCCCCSP(=O)(C1=CC=CC=C1)SCCCCC |
| InChIKey | XOVAKXRFLONYHF-UHFFFAOYSA-N |
Product Overview
Phosphonodithioic acid, phenyl-, S,S-dipentyl ester (CAS 68598-38-9), with molecular formula C16H27OPS2 and molecular weight 330.12 g/mol. IUPAC: bis(pentylsulfanyl)phosphorylbenzene.
Chemical Property Profile of Phosphonodithioic acid, phenyl-, S,S-dipentyl ester
Property Insights of Phosphonodithioic acid, phenyl-, S,S-dipentyl ester
The XLogP value of 5.4 indicates that Phosphonodithioic acid, phenyl-, S,S-dipentyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonodithioic acid, phenyl-, S,S-dipentyl ester. Following Lipinski's Rule of Five, Phosphonodithioic acid, phenyl-, S,S-dipentyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphonodithioic acid, phenyl-, S,S-dipentyl ester?
The CAS number of Phosphonodithioic acid, phenyl-, S,S-dipentyl ester is 68598-38-9.
What is the molecular formula of Phosphonodithioic acid, phenyl-, S,S-dipentyl ester?
The molecular formula of Phosphonodithioic acid, phenyl-, S,S-dipentyl ester is C16H27OPS2.
What is the molecular weight of Phosphonodithioic acid, phenyl-, S,S-dipentyl ester?
The molecular weight of Phosphonodithioic acid, phenyl-, S,S-dipentyl ester is 330.12 g/mol.
Where can I buy Phosphonodithioic acid, phenyl-, S,S-dipentyl ester?
You can request a quote for Phosphonodithioic acid, phenyl-, S,S-dipentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonodithioic acid, phenyl-, S,S-dipentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonodithioic acid, phenyl-, S,S-dipentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.