Phosphonodithioic acid, (dichloromethyl)-, S,S-diphenyl ester
TL;DR: Phosphonodithioic acid, (dichloromethyl)-, S,S-diphenyl ester (CAS 58725-95-4) is a chemical compound with molecular formula C13H11Cl2OPS2 and molecular weight 347.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[dichloromethyl(phenylsulfanyl)phosphoryl]sulfanylbenzene
Also Known As: S,S-Diphenyl (dichloromethyl)phosphonodithioate, Phosphonodithioic acid, (dichloromethyl)-, S,S-diphenyl ester, [dichloromethyl(phenylsulfanyl)phosphoryl]sulfanylbenzene
| Molecular Formula | C13H11Cl2OPS2 |
|---|---|
| Molecular Weight | 347.94 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.93658 |
| Heavy Atoms | 19 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 58725-95-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SP(=O)(C(Cl)Cl)SC2=CC=CC=C2 |
| InChIKey | DVEJVYSKXBOREZ-UHFFFAOYSA-N |
Product Overview
Phosphonodithioic acid, (dichloromethyl)-, S,S-diphenyl ester (CAS 58725-95-4), with molecular formula C13H11Cl2OPS2 and molecular weight 347.94 g/mol. IUPAC: [dichloromethyl(phenylsulfanyl)phosphoryl]sulfanylbenzene.
Chemical Property Profile of Phosphonodithioic acid, (dichloromethyl)-, S,S-diphenyl ester
Property Insights of Phosphonodithioic acid, (dichloromethyl)-, S,S-diphenyl ester
The XLogP value of 4.8 indicates that Phosphonodithioic acid, (dichloromethyl)-, S,S-diphenyl 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, (dichloromethyl)-, S,S-diphenyl ester. Following Lipinski's Rule of Five, Phosphonodithioic acid, (dichloromethyl)-, S,S-diphenyl 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, (dichloromethyl)-, S,S-diphenyl ester?
The CAS number of Phosphonodithioic acid, (dichloromethyl)-, S,S-diphenyl ester is 58725-95-4.
What is the molecular formula of Phosphonodithioic acid, (dichloromethyl)-, S,S-diphenyl ester?
The molecular formula of Phosphonodithioic acid, (dichloromethyl)-, S,S-diphenyl ester is C13H11Cl2OPS2.
What is the molecular weight of Phosphonodithioic acid, (dichloromethyl)-, S,S-diphenyl ester?
The molecular weight of Phosphonodithioic acid, (dichloromethyl)-, S,S-diphenyl ester is 347.94 g/mol.
Where can I buy Phosphonodithioic acid, (dichloromethyl)-, S,S-diphenyl ester?
You can request a quote for Phosphonodithioic acid, (dichloromethyl)-, S,S-diphenyl 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, (dichloromethyl)-, S,S-diphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonodithioic acid, (dichloromethyl)-, S,S-diphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.