Phosphonodithioic acid, methyl-, S,S-dipropyl ester
TL;DR: Phosphonodithioic acid, methyl-, S,S-dipropyl ester (CAS 996-04-3) is a chemical compound with molecular formula C7H17OPS2 and molecular weight 212.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[methyl(propylsulfanyl)phosphoryl]sulfanylpropane
Also Known As: S,S-Dipropyl methylphosphonodithioate, Virginia-carolina 3-676, V-C Chemical V-C 3-676, Dipropyl methylphosphonodithioate, ENT 25,980
| Molecular Formula | C7H17OPS2 |
|---|---|
| Molecular Weight | 212.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.04584 |
| Heavy Atoms | 11 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 996-04-3 |
|---|---|
| SMILES | CCCSP(=O)(C)SCCC |
| InChIKey | OSYTXYVCVORGKQ-UHFFFAOYSA-N |
Product Overview
Phosphonodithioic acid, methyl-, S,S-dipropyl ester (CAS 996-04-3), with molecular formula C7H17OPS2 and molecular weight 212.05 g/mol. IUPAC: 1-[methyl(propylsulfanyl)phosphoryl]sulfanylpropane.
Chemical Property Profile of Phosphonodithioic acid, methyl-, S,S-dipropyl ester
Property Insights of Phosphonodithioic acid, methyl-, S,S-dipropyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonodithioic acid, methyl-, S,S-dipropyl ester. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonodithioic acid, methyl-, S,S-dipropyl ester. Following Lipinski's Rule of Five, Phosphonodithioic acid, methyl-, S,S-dipropyl ester has 0 hydrogen bond donor(s) and 3 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 Phosphonodithioic acid, methyl-, S,S-dipropyl ester?
The CAS number of Phosphonodithioic acid, methyl-, S,S-dipropyl ester is 996-04-3.
What is the molecular formula of Phosphonodithioic acid, methyl-, S,S-dipropyl ester?
The molecular formula of Phosphonodithioic acid, methyl-, S,S-dipropyl ester is C7H17OPS2.
What is the molecular weight of Phosphonodithioic acid, methyl-, S,S-dipropyl ester?
The molecular weight of Phosphonodithioic acid, methyl-, S,S-dipropyl ester is 212.05 g/mol.
Where can I buy Phosphonodithioic acid, methyl-, S,S-dipropyl ester?
You can request a quote for Phosphonodithioic acid, methyl-, S,S-dipropyl 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, methyl-, S,S-dipropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonodithioic acid, methyl-, S,S-dipropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.